From 5b86664863546355a4636082a2f5bb9f4a1abba9 Mon Sep 17 00:00:00 2001 From: Alan Huebschen Date: Tue, 15 Oct 2024 19:03:36 -0500 Subject: [PATCH] added utility to normalize all curies in the nodes and links of an indication_paths.json document using translator nodenorm --- utils/normalizer/input/indication_paths.json | 430634 +++++++++++++++ utils/normalizer/normalize.py | 159 + utils/normalizer/output/failed_ids.json | 273 + ...ndication_paths-normalized-2024-10-15.json | 430634 +++++++++++++++ utils/normalizer/output/norm_cache.json | 4859 + .../output/unique_failed_prefixes.json | 12 + 6 files changed, 866571 insertions(+) create mode 100644 utils/normalizer/input/indication_paths.json create mode 100644 utils/normalizer/normalize.py create mode 100644 utils/normalizer/output/failed_ids.json create mode 100644 utils/normalizer/output/indication_paths-normalized-2024-10-15.json create mode 100644 utils/normalizer/output/norm_cache.json create mode 100644 utils/normalizer/output/unique_failed_prefixes.json diff --git a/utils/normalizer/input/indication_paths.json b/utils/normalizer/input/indication_paths.json new file mode 100644 index 000000000..19e52ac7c --- /dev/null +++ b/utils/normalizer/input/indication_paths.json @@ -0,0 +1,430634 @@ +[ + { + "directed": true, + "graph": { + "_id": "DB00619_MESH_D015464_1", + "disease": "CML (ph+)", + "disease_mesh": "MESH:D015464", + "drug": "imatinib", + "drug_mesh": "MESH:D000068877", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D000068877", + "target": "UniProt:P00519" + }, + { + "key": "causes", + "source": "UniProt:P00519", + "target": "MESH:D015464" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "UniProt:P00519", + "label": "Protein", + "name": "BCR/ABL" + }, + { + "id": "MESH:D015464", + "label": "Disease", + "name": "CML (ph+)" + } + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00619_MESH_D034721_1", + "disease": "Systemic mast cell disease", + "disease_mesh": "MESH:D034721", + "drug": "imatinib", + "drug_mesh": "MESH:D000068877", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D000068877", + "target": "UniProt:P10721" + }, + { + "key": "decreases activity of", + "source": "MESH:D000068877", + "target": "UniProt:P16234" + }, + { + "key": "positively regulates", + "source": "UniProt:P10721", + "target": "GO:0008283" + }, + { + "key": "positively regulates", + "source": "UniProt:P16234", + "target": "GO:0008283" + }, + { + "key": "causes", + "source": "GO:0008283", + "target": "MESH:D034721" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "UniProt:P10721", + "label": "Protein", + "name": "c-Kit" + }, + { + "id": "UniProt:P16234", + "label": "Protein", + "name": "Pdgf" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "Cellular proliferation" + }, + { + "id": "MESH:D034721", + "label": "Disease", + "name": "Systemic mast cell disease" + } + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00316_MESH_D010146_1", + "disease": "Pain", + "disease_mesh": "MESH:D010146", + "drug": "Acetaminophen", + "drug_mesh": "MESH:D000082", + "drugbank": "DB:DB00316" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D000082", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "MESH:D000082", + "target": "UniProt:P35354" + }, + { + "key": "decreases activity of", + "source": "MESH:D000082", + "target": "UniProt:Q15185" + }, + { + "key": "positively regulates", + "source": "UniProt:P23219", + "target": "GO:0001516" + }, + { + "key": "positively regulates", + "source": "UniProt:P35354", + "target": "GO:0001516" + }, + { + "key": "positively regulates", + "source": "UniProt:Q15185", + "target": "GO:0001516" + }, + { + "key": "increases abundance of", + "source": "GO:0001516", + "target": "MESH:D011453" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "MESH:D010146" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000082", + "label": "Drug", + "name": "Acetaminophen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "UniProt:Q15185", + "label": "Protein", + "name": "Prostaglandin E synthase 3" + }, + { + "id": "GO:0001516", + "label": "BiologicalProcess", + "name": "prostaglandin biosynthetic process" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "MESH:D010146", + "label": "Disease", + "name": "Pain" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00316#mechanism-of-action", + "https://www.uniprot.org/uniprot/P23219#function", + "https://www.uniprot.org/uniprot/P35354#function", + "https://www.uniprot.org/uniprot/Q15185#function", + "https://en.wikipedia.org/wiki/Pain" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00316_MESH_D005334_1", + "disease": "Fever", + "disease_mesh": "MESH:D005334", + "drug": "acetaminophen", + "drug_mesh": "MESH:D000082", + "drugbank": "DB:DB00316" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000082", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "occurs in", + "source": "reactome:R-HSA-2162123", + "target": "UBERON:0000955" + }, + { + "key": "location of", + "source": "UBERON:0000955", + "target": "GO:0001659" + }, + { + "key": "negatively correlated with", + "source": "GO:0001659", + "target": "MESH:D005334" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000082", + "label": "Drug", + "name": "acetaminophen" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "cycloxygenaze pathways" + }, + { + "id": "UBERON:0000955", + "label": "GrossAnatomicalStructure", + "name": "Brain" + }, + { + "id": "GO:0001659", + "label": "BiologicalProcess", + "name": "Temperature Homeostasis" + }, + { + "id": "MESH:D005334", + "label": "Disease", + "name": "Fever" + } + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00945_MESH_D010146_1", + "disease": "Pain", + "disease_mesh": "MESH:D010146", + "drug": "Aspirin", + "drug_mesh": "MESH:D001241", + "drugbank": "DB:DB00945" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D001241", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "MESH:D001241", + "target": "UniProt:P35354" + }, + { + "key": "positively regulates", + "source": "UniProt:P23219", + "target": "GO:0001516" + }, + { + "key": "positively regulates", + "source": "UniProt:P35354", + "target": "GO:0001516" + }, + { + "key": "increases abundance of", + "source": "GO:0001516", + "target": "MESH:D011453" + }, + { + "key": "contributes to", + "source": "MESH:D011453", + "target": "GO:0006954" + }, + { + "key": "causes", + "source": "GO:0006954", + "target": "MESH:D010146" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D001241", + "label": "Drug", + "name": "Aspirin" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "GO:0001516", + "label": "BiologicalProcess", + "name": "prostaglandin biosynthetic process" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D010146", + "label": "Disease", + "name": "Pain" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00945#mechanism-of-action", + "https://www.uniprot.org/uniprot/P23219#function", + "https://www.uniprot.org/uniprot/P35354#function", + "https://en.wikipedia.org/wiki/Pain" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00945_MESH_D013927_1", + "disease": "Thrombosis", + "disease_mesh": "MESH:D013927", + "drug": "acetylsalicylic acid", + "drug_mesh": "MESH:D001241", + "drugbank": "DB:DB00945" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D001241", + "target": "UniProt:P23219" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "GO:0007596" + }, + { + "key": "has output", + "source": "reactome:R-HSA-2162123", + "target": "MESH:D013928" + }, + { + "key": "participates in", + "source": "MESH:D013928", + "target": "GO:0007596" + }, + { + "key": "causes", + "source": "GO:0007596", + "target": "MESH:D013927" + } + ], + "multigraph": true, + "nodes": [ + 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{ + "key": "participates in", + "source": "MESH:D011453", + "target": "GO:0006954" + }, + { + "key": "causes", + "source": "GO:0006954", + "target": "MESH:D010146" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009288", + "label": "Drug", + "name": "naproxen" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Cox-2" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "Inflammation" + }, + { + "id": "MESH:D010146", + "label": "Disease", + "name": "Pain" + } + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01059_MESH_D004405_1", + "disease": "Shigellosis", + "disease_mesh": "MESH:D004405", + "drug": "norfloxacin", + "drug_mesh": "MESH:D009643", + "drugbank": "DB:DB01059" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D009643", + "target": "UniProt:P43702" + }, + { + "key": "negatively regulates", + "source": 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"UniProt:P04083", + "label": "Protein", + "name": "lipocortin-1" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Prostaglandin Synthesis" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "GO:0050900", + "label": "BiologicalProcess", + "name": "Immune Cell Funciton" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "Inflammation" + }, + { + "id": "MESH:D007634", + "label": "Disease", + "name": "Keratitis" + } + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01610_MESH_D003586_1", + "disease": "CMV infection", + "disease_mesh": "MESH:D003586", + "drug": "valganciclovir", + "drug_mesh": "MESH:D000077562", + "drugbank": "DB:DB01610" + }, + "links": [ + { + "key": "increases abundance of", + "source": "MESH:D000077562", + "target": "MESH:D015774" + }, + { + "key": "negatively regulates", + "source": "MESH:D015774", + "target": "GO:0039693" + }, + { + "key": "occurs in", + 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reuptake but I could not find evidence for this drug modulating the (nore)epinephrine uptake by Q7RTT9 or P23975. These putative mechanism has been observed in vitro/model organisms studies and is on Wikipedia (https://en.wikipedia.org/wiki/Setiptiline#Pharmacodynamics) but not on DrugBank or ChEMBL for example.", + "directed": true, + "graph": { + "_id": "DB09304_MESH_D003866_1", + "disease": "Depressive disorder", + "disease_mesh": "MESH:D003866", + "drug": "setiptiline", + "drug_mesh": "MESH:C050605", + "drugbank": "DB:DB09304" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C050605", + "target": "UniProt:P08913" + }, + { + "key": "decreases activity of", + "source": "MESH:C050605", + "target": "UniProt:P18089" + }, + { + "key": "decreases activity of", + "source": "MESH:C050605", + "target": "UniProt:P18825" + }, + { + "key": "correlated with", + "source": "UniProt:P08913", + "target": "GO:0061533" + }, + { + "key": "correlated with", + "source": "UniProt:P18089", + "target": "GO:0061533" + }, + { + "key": "correlated with", + "source": "UniProt:P18825", + "target": 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"target": "reactome:R-HSA-181438" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10826", + "target": "reactome:R-HSA-181438" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-181438", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "UniProt:P00533", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "MESH:D053536", + "target": "HP:0025249" + }, + { + "key": "positively correlated with", + "source": "MESH:D053553", + "target": "HP:0025249" + }, + { + "key": "positively correlated with", + "source": "HP:0025249", + "target": "MESH:D000152" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MESH:D000152" + }, + { + "key": "positively correlated with", + "source": "MESH:D020782", + "target": "MESH:D000152" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C086827", + "label": "Drug", + "name": "tazarotene" + }, + { + "id": "UniProt:P10276", + "label": "Protein", + "name": "Retinoic acid receptor alpha" + }, + { + "id": "UniProt:P10826", + "label": "Protein", + "name": "Retinoic acid receptor beta" + }, + { + "id": "UniProt:P28702", + "label": "Protein", + "name": "Retinoic acid receptor RXR-beta" + }, + { + "id": "UniProt:P13631", + "label": "Protein", + "name": "Retinoic acid receptor gamma" + }, + { + "id": "MESH:D053536", + "label": "Protein", + "name": "Keratin-16" + }, + { + "id": "MESH:D053553", + "label": "Protein", + "name": "Keratin-6" + }, + { + "id": "MESH:D020782", + "label": "Protein", + "name": "Matrix Metalloproteinases" + }, + { + "id": "UniProt:P00533", + "label": "Protein", + "name": "Epidermal growth factor receptor" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "HP:0025249", + "label": "PhenotypicFeature", + "name": "Comedo" + }, + { + "id": "reactome:R-HSA-181438", + "label": "Pathway", + "name": "Toll Like Receptor 2 (TLR2) Cascade" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4043801/#__sec2title", + "https://go.drugbank.com/drugs/DB00799#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/28585191/", + "https://europepmc.org/article/med/32100454" + ] + }, + { + "comment": "MESH:D057705 refers to the movement of leukocytes (the term NCIT:C91439 would have been better suited here but could not be validated)", + "directed": true, + "graph": { + "_id": "DB00799_MESH_D011565_1", + "disease": "Psoriasis", + "disease_mesh": "MESH:D011565", + "drug": "tazarotene", + "drug_mesh": "MESH:C086827", + "drugbank": "DB:DB00799" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C086827", + "target": "UniProt:P10276" + }, + { + "key": "increases activity of", + "source": "MESH:C086827", + "target": "UniProt:P28702" + }, + { + "key": "increases activity of", + "source": "MESH:C086827", + "target": "UniProt:P13631" + }, + { + "key": "increases activity of", + "source": "MESH:C086827", + "target": "UniProt:P10826" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10276", + "target": "GO:0043616" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P28702", + "target": "GO:0043616" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P13631", + "target": "GO:0043616" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10826", + "target": "GO:0043616" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10276", + "target": "MESH:D057705" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P28702", + "target": "MESH:D057705" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P13631", + "target": "MESH:D057705" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10826", + "target": "MESH:D057705" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10276", + "target": "MESH:D003873" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P28702", + "target": "MESH:D003873" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P13631", + "target": "MESH:D003873" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10826", + "target": "MESH:D003873" + }, + { + "key": "positively correlated with", + "source": "MESH:D057705", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0043616", + "target": "MESH:D011565" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MESH:D011565" + }, + { + "key": "positively correlated with", + "source": "MESH:D003873", + "target": "MESH:D011565" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C086827", + "label": "Drug", + "name": "tazarotene" + }, + { + "id": "UniProt:P10276", + "label": "Protein", + "name": "Retinoic acid receptor alpha" + }, + { + "id": "UniProt:P10826", + "label": "Protein", + "name": "Retinoic acid receptor beta" + }, + { + "id": "UniProt:P28702", + "label": "Protein", + "name": "Retinoic acid receptor RXR-beta" + }, + { + "id": "UniProt:P13631", + "label": "Protein", + "name": "Retinoic acid receptor gamma" + }, + { + "id": "MESH:D003873", + "label": "PhenotypicFeature", + "name": "Dermatitis, Exfoliative" + }, + { + "id": "GO:0043616", + "label": "BiologicalProcess", + "name": "keratinocyte proliferation" + }, + { + "id": "MESH:D057705", + "label": "BiologicalProcess", + "name": "Transendothelial Migration Pathway" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D011565", + "label": "Disease", + "name": "Psoriasis" + } + ], + "reference": [ + "https://www.hindawi.com/journals/mi/2018/3067126/", + "https://go.drugbank.com/drugs/DB00799#mechanism-of-action" + ] + }, + { + "comment": "DrugBank has this drug modulating a human target/protein (https://go.drugbank.com/drugs/DB04930#mechanism-of-action) instead of the non-vertebrate proteome. Because humans (and other mammals) share similar ion channels this drug can have some toxic effects on the vertebrate host (e.g. https://pubmed.ncbi.nlm.nih.gov/11812616/)", + "directed": true, + "graph": { + "_id": "DB04930_MESH_D012532_1", + "disease": "Infestation by Sarcoptes scabiei var hominis", + "disease_mesh": "MESH:D012532", + "drug": "permethrin", + "drug_mesh": "MESH:D026023", + "drugbank": "DB:DB04930" + }, + "links": [ + { + "key": "disrupts", + "source": "MESH:D026023", + "target": "UniProt:Q2VKV7" + }, + { + "key": "positively regulates", + "source": "UniProt:Q2VKV7", + "target": "GO:1902305" + }, + { + "key": "positively correlated with", + "source": "GO:1902305", + "target": "GO:0086009" + }, + { + "key": "occurs in", + "source": "GO:0086009", + "target": "MESH:D001369" + }, + { + "key": "in taxon", + "source": "MESH:D001369", + "target": "taxonomy:52283" + }, + { + "key": "causes", + "source": "taxonomy:52283", + "target": "MESH:D012532" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D026023", + "label": "Drug", + "name": "permethrin" + }, + { + "id": "UniProt:Q2VKV7", + "label": "Protein", + "name": "Sodium channel protein" + }, + { + "id": "GO:1902305", + "label": "BiologicalProcess", + "name": "regulation of sodium ion transmembrane transport" + }, + { + "id": "GO:0086009", + "label": "BiologicalProcess", + "name": "membrane repolarization" + }, + { + "id": "MESH:D001369", + "label": "Cell", + "name": "Axons" + }, + { + "id": "taxonomy:52283", + "label": "OrganismTaxon", + "name": "Sarcoptes scabiei" + }, + { + "id": "MESH:D012532", + "label": "Disease", + "name": "Infestation by Sarcoptes scabiei var hominis" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1525/", + "https://dailymed.nlm.nih.gov/dailymed/lookup.cfm?setid=4de55a80-67d6-42c0-a6fc-57b89400c5b3", + "https://www.ebi.ac.uk/chembl/target_report_card/CHEMBL2362985/", + "https://beta.targetvalidation.org/drug/CHEMBL1525", + "https://en.wikipedia.org/wiki/Permethrin#Pharmacokinetics", + "https://en.wikipedia.org/wiki/Pyrethroid#Mode_of_action" + ] + }, + { + "comments": "this drug may bind to calmodulin therefore having an anti-neoplasmic effect (https://pubmed.ncbi.nlm.nih.gov/28062709/). For schizophrenia, the dopamine neurons are located in the mesolimbic dopaminergic system (BTO:0005591), which is a component pathway of the medial forebrain bundle (UBERON:0001910. See https://en.wikipedia.org/wiki/Medial_forebrain_bundle#Anatomy)", + "directed": true, + "graph": { + "_id": "DB00850_MESH_D012559_1", + "disease": "Schizophrenia", + "disease_mesh": "MESH:D012559", + "drug": "perphenazine", + "drug_mesh": "MESH:D010546", + "drugbank": "DB:DB00850" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D010546", + "target": "UniProt:P14416" + }, + { + "key": "decreases activity of", + "source": "MESH:D010546", + "target": "UniProt:P21728" + }, + { + "key": "positively regulates", + "source": "UniProt:P14416", + "target": "GO:0014046" + }, + { + "key": "positively regulates", + "source": "UniProt:P21728", + "target": "GO:0014046" + }, + { + "key": "increases abundance of", + "source": "GO:0014046", + "target": "CHEBI:18243" + }, + { + "key": "located in", + "source": "CHEBI:18243", + "target": "UBERON:0001910" + }, + { + "key": "correlated with", + "source": "UBERON:0001910", + "target": "HP:0000746" + }, + { + "key": "manifestation of", + "source": "HP:0000746", + "target": "MESH:D012559" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010546", + "label": "Drug", + "name": "perphenazine" + }, + { + "id": "UniProt:P14416", + "label": "Protein", + "name": "D(2) dopamine receptor" + }, + { + "id": "UniProt:P21728", + "label": "Protein", + "name": "D(1A) dopamine receptor" + }, + { + "id": "GO:0014046", + "label": "BiologicalProcess", + "name": "dopamine secretion" + }, + { + "id": "CHEBI:18243", + "label": "ChemicalSubstance", + "name": "dopamine" + }, + { + "id": "UBERON:0001910", + "label": "GrossAnatomicalStructure", + "name": "medial forebrain bundle" + }, + { + "id": "HP:0000746", + "label": "PhenotypicFeature", + "name": "Delusions" + }, + { + "id": "MESH:D012559", + "label": "Disease", + "name": "Schizophrenia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00850#mechanism-of-action", + "https://en.wikipedia.org/wiki/Perphenazine", + "https://en.wikipedia.org/wiki/Antipsychotic#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Mesolimbic_pathway#Relation_to_neurological_and_psychological_disorders" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06237_MESH_D007172_1", + "disease": "Erectile Dysfunction", + "disease_mesh": "MESH:D007172", + "drug": "avanafil", + "drug_mesh": "MESH:C553414", + "drugbank": "DB:DB06237" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C553414", + "target": "UniProt:O76074" + }, + { + "key": "positively regulates", + "source": "UniProt:O76074", + "target": "GO:0046069" + }, + { + "key": "decreases abundance of", + "source": "GO:0046069", + "target": "MESH:D006152" + }, + { + "key": "positively regulates", + "source": "MESH:D006152", + "target": "GO:0044557" + }, + { + "key": "positively correlated with", + "source": "GO:0044557", + "target": "GO:0008015" + }, + { + "key": "negatively correlated with", + "source": "GO:0008015", + "target": "MESH:D007172" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C553414", + "label": "Drug", + "name": "avanafil" + }, + { + "id": "UniProt:O76074", + "label": "Protein", + "name": "cGMP-specific 3',5'-cyclic phosphodiesterase" + }, + { + "id": "GO:0046069", + "label": "BiologicalProcess", + "name": "cGMP catabolic process" + }, + { + "id": "MESH:D006152", + "label": "ChemicalSubstance", + "name": "Cyclic GMP" + }, + { + "id": "GO:0044557", + "label": "BiologicalProcess", + "name": "relaxation of smooth muscle" + }, + { + "id": "GO:0008015", + "label": "BiologicalProcess", + "name": "blood circulation" + }, + { + "id": "MESH:D007172", + "label": "Disease", + "name": "Erectile Dysfunction" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06237#mechanism-of-action", + "https://www.uniprot.org/uniprot/O76074#function", + "https://en.wikipedia.org/wiki/Erectile_dysfunction" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00878_MESH_D005891_1", + "disease": "Gingivitis", + "disease_mesh": "MESH:D005891", + "drug": "Chlorhexidine", + "drug_mesh": "MESH:D002710", + "drugbank": "DB:DB00878" + }, + "links": [ + { + "key": "disrupts", + "source": "MESH:D002710", + "target": "GO:0005886" + }, + { + "key": "in taxon", + "source": "GO:0005886", + "target": "taxonomy:2" + }, + { + "key": "causes", + "source": "taxonomy:2", + "target": "MESH:D005891" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002710", + "label": "Drug", + "name": "Chlorhexidine" + }, + { + "id": "GO:0005886", + "label": "CellularComponent", + "name": "plasma membrane" + }, + { + "id": "taxonomy:2", + "label": "OrganismTaxon", + "name": "Bacteria" + }, + { + "id": "MESH:D005891", + "label": "Disease", + "name": "Gingivitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00878#mechanism-of-action", + "https://en.wikipedia.org/wiki/Gingivitis" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00651_MESH_D000080445_1", + "disease": "Asthma-Chronic Obstructive Pulmonary Disease Overlap Syndrome", + "disease_mesh": "MESH:D000080445", + "drug": "Dyphylline", + "drug_mesh": "MESH:D004400", + "drugbank": "DB:DB00651" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004400", + "target": "UniProt:P27815" + }, + { + "key": "decreases activity of", + "source": "MESH:D004400", + "target": "UniProt:Q07343" + }, + { + "key": "decreases activity of", + "source": "MESH:D004400", + "target": "UniProt:Q08493" + }, + { + "key": "decreases activity of", + "source": "MESH:D004400", + "target": "UniProt:Q08499" + }, + { + "key": "decreases abundance of", + "source": "UniProt:P27815", + "target": "MESH:D000242" + }, + { + "key": "decreases abundance of", + "source": "UniProt:Q07343", + "target": "MESH:D000242" + }, + { + "key": "decreases abundance of", + "source": "UniProt:Q08493", + "target": "MESH:D000242" + }, + { + "key": "decreases abundance of", + "source": "UniProt:Q08499", + "target": "MESH:D000242" + }, + { + "key": "positively regulates", + "source": "MESH:D000242", + "target": "GO:0042311" + }, + { + "key": "negatively correlated with", + "source": "GO:0042311", + "target": "MESH:D000080445" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004400", + "label": "Drug", + "name": "Dyphylline" + }, + { + "id": "UniProt:P27815", + "label": "Protein", + "name": "cAMP-specific 3',5'-cyclic phosphodiesterase 4A" + }, + { + "id": "UniProt:Q07343", + "label": "Protein", + "name": "cAMP-specific 3',5'-cyclic phosphodiesterase 4B" + }, + { + "id": "UniProt:Q08493", + "label": "Protein", + "name": "cAMP-specific 3',5'-cyclic phosphodiesterase 4C" + }, + { + "id": "UniProt:Q08499", + "label": "Protein", + "name": "cAMP-specific 3',5'-cyclic phosphodiesterase 4D" + }, + { + "id": "MESH:D000242", + "label": "ChemicalSubstance", + "name": "Cyclic AMP" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D000080445", + "label": "Disease", + "name": "Asthma-Chronic Obstructive Pulmonary Disease Overlap Syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00651#mechanism-of-action", + "https://www.uniprot.org/uniprot/P27815#function", + "https://www.uniprot.org/uniprot/Q07343#function", + "https://www.uniprot.org/uniprot/Q08493#function", + "https://www.uniprot.org/uniprot/Q08499#function", + "https://en.wikipedia.org/wiki/Asthma", + "https://en.wikipedia.org/wiki/Chronic_obstructive_pulmonary_disease" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00651_MESH_D000080445_2", + "disease": "Asthma-Chronic Obstructive Pulmonary Disease Overlap Syndrome", + "disease_mesh": "MESH:D000080445", + "drug": "Dyphylline", + "drug_mesh": "MESH:D004400", + "drugbank": "DB:DB00651" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004400", + "target": "InterPro:IPR001634" + }, + { + "key": "negatively regulates", + "source": "InterPro:IPR001634", + "target": 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"label": "BiologicalProcess", + "name": "smooth muscle contraction" + }, + { + "id": "GO:0002553", + "label": "BiologicalProcess", + "name": "histamine secretion by mast cell" + }, + { + "id": "MESH:D000707", + "label": "Disease", + "name": "Anaphylaxis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00668#mechanism-of-action", + "https://en.wikipedia.org/wiki/Adrenergic_receptor", + "https://europepmc.org/article/med/32931210", + "https://allergy.org.au/patients/allergy-treatment/adrenaline-for-severe-allergies" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00668_MESH_D007022_1", + "disease": "Low blood pressure", + "disease_mesh": "MESH:D007022", + "drug": "epinephrine", + "drug_mesh": "MESH:D004837", + "drugbank": "DB:DB00668" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D004837", + "target": "UniProt:P08588" + }, + { + "key": "participates in", + "source": "UniProt:P08588", + "target": "reactome:R-HSA-418555" + }, + { + "key": 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"http://pathwaymedicine.org/Epinephrine", + "https://en.wikipedia.org/wiki/Beta-1_adrenergic_receptor", + "https://en.wikipedia.org/wiki/Adrenergic_receptor#History" + ] + }, + { + "comment": "Tiopronin is a cystine depleting agent (MESH:D065104).", + "directed": true, + "graph": { + "_id": "DB06823_MESH_D003555_1", + "disease": "Cystinuria", + "disease_mesh": "MESH:D003555", + "drug": "tiopronin", + "drug_mesh": "MESH:D008625", + "drugbank": "DB:DB06823" + }, + "links": [ + { + "key": "decreases abundance of", + "source": "MESH:D008625", + "target": "CHEBI:17376" + }, + { + "key": "causes", + "source": "CHEBI:17376", + "target": "HP:0000787" + }, + { + "key": "causes", + "source": "CHEBI:17376", + "target": "HP:0033067" + }, + { + "key": "manifestation of", + "source": "HP:0000787", + "target": "MESH:D003555" + }, + { + "key": "manifestation of", + "source": "HP:0033067", + "target": "MESH:D003555" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008625", + "label": "Drug", + "name": "Tiopronin" + }, + { + "id": "CHEBI:17376", + "label": "ChemicalSubstance", + "name": "cystine" + }, + { + "id": "HP:0033067", + "label": "PhenotypicFeature", + "name": "Cystine crystalluria" + }, + { + "id": "HP:0000787", + "label": "PhenotypicFeature", + "name": "Nephrolithiasis" + }, + { + "id": "MESH:D003555", + "label": "Disease", + "name": "Cystinuria" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06823#mechanism-of-action", + "https://en.wikipedia.org/wiki/Tiopronin#Uses", + "https://dailymed.nlm.nih.gov/dailymed/lookup.cfm?setid=494a714e-923c-cd57-df6c-12886afb265a#nlm34090-1" + ] + }, + { + "comment": "Colesevelamid is a type of ion exchange resin (MESH:D007475).", + "directed": true, + "graph": { + "_id": "DB00930_MESH_D006937_1", + "disease": "Hypercholesterolemia", + "disease_mesh": "MESH:D006937", + "drug": "colesevelam", + "drug_mesh": "MESH:D000069472", + "drugbank": "DB:DB00930" + }, + "links": [ + { + "key": "decreases abundance of", + 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The Ensembl gene ID is ENSG00000165646)", + "directed": true, + "graph": { + "_id": "DB11915_MESH_D000071057_1", + "disease": "Tardive dyskinesia", + "disease_mesh": "MESH:D000071057", + "drug": "valbenazine", + "drug_mesh": "MESH:C000603978", + "drugbank": "DB:DB11915" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C000603978", + "target": "UniProt:Q05940" + }, + { + "key": "positively regulates", + "source": "UniProt:Q05940", + "target": "GO:0015842" + }, + { + "key": "positively correlated with", + "source": "GO:0015842", + "target": "reactome:R-HSA-212676" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-212676", + "target": "MESH:D000071057" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C000603978", + "label": "Drug", + "name": "valbenazine" + }, + { + "id": "UniProt:Q05940", + "label": "Protein", + "name": "Synaptic vesicular amine transporter" + }, + { + "id": "GO:0015842", + "label": "BiologicalProcess", + "name": "aminergic neurotransmitter loading into synaptic vesicle" + }, + { + "id": "reactome:R-HSA-212676", + "label": "Pathway", + "name": "Dopamine Neurotransmitter Release Cycle" + }, + { + "id": "MESH:D000071057", + "label": "Disease", + "name": "Tardive dyskinesia" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL2364639/", + "https://go.drugbank.com/drugs/DB11915#mechanism-of-action", + "https://en.wikipedia.org/wiki/Valbenazine#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB12323_MESH_D015464_1", + "disease": "Chronic myeloid leukemia", + "disease_mesh": "MESH:D015464", + "drug": "Radotinib", + "drug_mesh": "MESH:C000606751", + "drugbank": "DB:DB12323" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C000606751", + "target": "UniProt:P00519" + }, + { + "key": "decreases activity of", + "source": "MESH:C000606751", + "target": "MESH:D016044" + }, + { + "key": "decreases activity of", + 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"source": "GO:0035791", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0048008", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0004713", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0035791", + "target": "GO:0001525" + }, + { + "key": "positively correlated with", + "source": "GO:0048008", + "target": "GO:0001525" + }, + { + "key": "positively correlated with", + "source": "GO:0004713", + "target": "GO:0001525" + }, + { + "key": "positively correlated with", + "source": "GO:0001525", + "target": "MESH:D015464" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MESH:D015464" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C000606751", + "label": "Drug", + "name": "Radotinib" + }, + { + "id": "UniProt:P00519", + "label": "Protein", + "name": "Tyrosine-protein kinase ABL1" + }, + { + "id": "MESH:D016044", + "label": "Protein", + "name": "Fusion Proteins, bcr-abl" + }, + { + "id": "MESH:D017479", + "label": "GeneFamily", + "name": "Receptors, Platelet-Derived Growth Factor" + }, + { + "id": "GO:0004713", + "label": "MolecularActivity", + "name": "protein tyrosine kinase activity" + }, + { + "id": "GO:0035791", + "label": "BiologicalProcess", + "name": "platelet-derived growth factor receptor-beta signaling pathway" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "GO:0048008", + "label": "BiologicalProcess", + "name": "platelet-derived growth factor receptor signaling pathway" + }, + { + "id": "GO:0001525", + "label": "BiologicalProcess", + "name": "angiogenesis" + }, + { + "id": "MESH:D015464", + "label": "Disease", + "name": "Chronic myeloid leukemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB12323#mechanism-of-action", + "https://en.wikipedia.org/wiki/Radotinib", + "https://drugcentral.org/drugcard/5188" + ] + }, + { + "comment": "note that this drug is only associated with calcium channel blockers in ChEMBL (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1008/), not with potassium channel blockers (or other targets) as DrugBank has it. This drug is no longer sold in the United States. It's been implicated in causing ventricular arrhythmia.", + "directed": true, + "graph": { + "_id": "DB01244_MESH_D000787_1", + "disease": "Angina pectoris", + "disease_mesh": "MESH:D000787", + "drug": "bepridil", + "drug_mesh": "MESH:D015764", + "drugbank": "DB:DB01244" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D015764", + "target": "UniProt:P51787" + }, + { + "key": "negatively regulates", + "source": "MESH:D015764", + "target": "UniProt:Q12809" + }, + { + "key": "participates in", + "source": "UniProt:P51787", + "target": "reactome:R-HSA-1296072" + }, + { + "key": "participates in", + "source": "UniProt:P51787", + "target": "reactome:R-HSA-5576890" + }, + { + "key": "participates in", + "source": "UniProt:Q12809", + "target": "reactome:R-HSA-1296072" + }, + { + "key": "participates in", + "source": "UniProt:Q12809", + "target": "reactome:R-HSA-5576890" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-1296072", + "target": "GO:0086013" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-5576890", + "target": "GO:0086013" + }, + { + "key": "negatively correlated with", + "source": "GO:0086013", + "target": "HP:0001657" + }, + { + "key": "positively correlated with", + "source": "HP:0001657", + "target": "HP:0004308" + }, + { + "key": "positively correlated with", + "source": "HP:0004308", + "target": "MESH:D017202" + }, + { + "key": "positively correlated with", + "source": "MESH:D017202", + "target": "MESH:D000787" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015764", + "label": "Drug", + "name": "bepridil" + }, + { + "id": "UniProt:P51787", + "label": "Protein", + "name": "Potassium voltage-gated channel subfamily KQT member 1" + }, + { + "id": "UniProt:Q12809", + "label": "Protein", + "name": "Potassium voltage-gated channel subfamily H member 2" + }, + { + "id": "reactome:R-HSA-5576890", + "label": "Pathway", + "name": "Phase 3 - rapid repolarisation" + }, + { + "id": "reactome:R-HSA-1296072", + "label": "Pathway", + "name": "Voltage gated Potassium channels" + }, + { + "id": "GO:0086013", + "label": "BiologicalProcess", + "name": "membrane repolarization during cardiac muscle cell action potential" + }, + { + "id": "HP:0001657", + "label": "PhenotypicFeature", + "name": "Prolonged QT interval" + }, + { + "id": "HP:0004308", + "label": "PhenotypicFeature", + "name": "Ventricular arrhythmia" + }, + { + "id": "MESH:D017202", + "label": "PhenotypicFeature", + "name": "Myocardial Ischemia" + }, + { + "id": "MESH:D000787", + "label": "Disease", + "name": "Angina pectoris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01244#mechanism-of-action", + "https://www.cvpharmacology.com/antiarrhy/potassium-blockers", + "https://pubmed.ncbi.nlm.nih.gov/1280569/" + ] + }, + { + "comments": "note that this drug is only associated with calcium channel blockers in ChEMBL (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1008/), not with potassium channel blockers (or other targets) as DrugBank has it. This drug is no longer sold in the United States. It's been implicated in causing ventricular arrhythmia.", + "directed": true, + "graph": { + "_id": "DB01244_MESH_D000787_2", + "disease": "Angina pectoris", + "disease_mesh": "MESH:D000787", + "drug": "bepridil", + "drug_mesh": "MESH:D015764", + "drugbank": "DB:DB01244" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D015764", + "target": "UniProt:P05023" + }, + { + "key": "positively regulates", + "source": "UniProt:P05023", + "target": "GO:0036376" + }, + { + "key": "positively correlated with", + "source": "GO:0036376", + "target": "GO:0070509" + }, + { + "key": "positively correlated with", + "source": "GO:0070509", + "target": "MESH:D017202" + }, + { + "key": "positively correlated with", + "source": "MESH:D017202", + "target": "MESH:D000787" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015764", + "label": "Drug", + "name": "Bepridil" + }, + { + "id": "UniProt:P05023", + "label": "Protein", + "name": "Sodium/potassium-transporting ATPase subunit alpha-1" + }, + { + "id": "GO:0036376", + "label": "BiologicalProcess", + "name": "sodium ion export across plasma membrane" + }, + { + "id": "GO:0070509", + "label": "BiologicalProcess", + "name": "calcium ion import" + }, + { + "id": "MESH:D017202", + "label": "PhenotypicFeature", + "name": "Myocardial Ischemia" + }, + { + "id": "MESH:D000787", + "label": "Disease", + "name": "Angina pectoris" + } + ], + "references": "https://go.drugbank.com/drugs/DB01244#BE0000732 https://www.ahajournals.org/doi/full/10.1161/01.STR.29.3.705" + }, + { + "comments": "note that this drug is only associated with calcium channel blockers in ChEMBL (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1008/), not with potassium channel blockers (or other targets) as DrugBank has it. This drug is no longer sold in the United States. It's been implicated in causing ventricular arrhythmia.", + "directed": true, + "graph": { + "_id": "DB01244_MESH_D000787_3", + "disease": "Angina pectoris", + "disease_mesh": "MESH:D000787", + "drug": "bepridil", + "drug_mesh": "MESH:D015764", + "drugbank": "DB:DB01244" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D015764", + "target": "UniProt:O00555" + }, + { + "key": "positively correlated with", + "source": "UniProt:O00555", + "target": "GO:0070509" + }, + { + "key": "negatively correlated with", + "source": "GO:0070509", + "target": "GO:0042311" + }, + { + "key": "positively regulates", + "source": "GO:0070509", + "target": "GO:0060047" + }, + { + "key": "positively regulates", + "source": "GO:0070509", + "target": "GO:1903779" + }, + { + "key": "negatively correlated with", + "source": "GO:0042311", + "target": "MESH:D017202" + }, + { + "key": "negatively correlated with", + "source": "GO:0060047", + "target": "MESH:D017202" + }, + { + "key": "negatively correlated with", + "source": "GO:1903779", + "target": "MESH:D017202" + }, + { + "key": "positively correlated with", + "source": "MESH:D017202", + "target": "MESH:D000787" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015764", + "label": "Drug", + "name": "Bepridil" + }, + { + "id": "UniProt:O00555", + "label": "Protein", + "name": "Voltage-dependent P/Q-type calcium channel subunit alpha-1A" + }, + { + "id": "GO:0070509", + "label": "BiologicalProcess", + "name": "calcium ion import" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "GO:0060047", + "label": "BiologicalProcess", + "name": "heart contraction" + }, + { + "id": "GO:1903779", + "label": "BiologicalProcess", + "name": "regulation of cardiac conduction" + }, + { + "id": "MESH:D017202", + "label": "PhenotypicFeature", + "name": "Myocardial Ischemia" + }, + { + "id": "MESH:D000787", + "label": "Disease", + "name": "Angina pectoris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01244#BE0000356", + "https://en.wikipedia.org/wiki/Calcium_channel_blocker#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Bepridil", + "https://www.cvpharmacology.com/vasodilator/CCB" + ] + }, + { + "comments": "note that this drug is only associated with calcium channel blockers in ChEMBL (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1008/), not with potassium channel blockers (or other targets) as DrugBank has it. This drug is no longer sold in the United States. It's been implicated in causing ventricular arrhythmia.", + "directed": true, + "graph": { + "_id": "DB01244_MESH_D000787_4", + "disease": "Angina pectoris", + "disease_mesh": "MESH:D000787", + "drug": "bepridil", + "drug_mesh": "MESH:D015764", + "drugbank": "DB:DB01244" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D015764", + "target": "UniProt:O95180" + }, + { + "key": "positively correlated with", + "source": "UniProt:O95180", + "target": "GO:0070509" + }, + { + "key": "positively correlated with", + "source": "UniProt:O95180", + "target": "GO:0086046" + }, + { + "key": "positively regulates", + "source": "GO:0070509", + "target": "GO:0060047" + }, + { + "key": "positively regulates", + "source": "GO:0086046", + "target": "GO:0060047" + }, + { + "key": "negatively correlated with", + "source": "GO:0060047", + "target": "MESH:D017202" + }, + { + "key": "positively correlated with", + "source": "MESH:D017202", + "target": "MESH:D000787" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015764", + "label": "Drug", + "name": "Bepridil" + }, + { + "id": "UniProt:O95180", + "label": "Protein", + "name": "Voltage-dependent T-type calcium channel subunit alpha-1H" + }, + { + "id": "GO:0070509", + "label": "BiologicalProcess", + "name": "calcium ion import" + }, + { + "id": "GO:0086046", + "label": "BiologicalProcess", + "name": "membrane depolarization during SA node cell action potential" + }, + { + "id": "GO:0060047", + "label": "BiologicalProcess", + "name": "heart contraction" + }, + { + "id": "MESH:D017202", + "label": "PhenotypicFeature", + "name": "Myocardial Ischemia" + }, + { + "id": "MESH:D000787", + "label": "Disease", + "name": "Angina pectoris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01244#BE0000864", + "https://en.wikipedia.org/wiki/T-type_calcium_channel", + "https://www.cvpharmacology.com/vasodilator/CCB" + ] + }, + { + "comments": "note that this drug is only associated with calcium channel blockers in ChEMBL (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1008/), not with potassium channel blockers (or other targets) as DrugBank has it. This drug is no longer sold in the United States. It's been implicated in causing ventricular arrhythmia.", + "directed": true, + "graph": { + "_id": "DB01244_MESH_D000787_5", + "disease": "Angina pectoris", + "disease_mesh": "MESH:D000787", + "drug": "bepridil", + "drug_mesh": "MESH:D015764", + "drugbank": "DB:DB01244" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D015764", + "target": "UniProt:Q9NY47" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NY47", + "target": "GO:0061337" + }, + { + "key": "positively correlated with", + "source": "GO:0061337", + "target": "GO:0060047" + }, + { + "key": "negatively correlated with", + "source": "GO:0060047", + "target": "MESH:D017202" + }, + { + "key": "positively correlated with", + "source": "MESH:D017202", + "target": "MESH:D000787" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015764", + "label": "Drug", + "name": "Bepridil" + }, + { + "id": "UniProt:Q9NY47", + "label": "Protein", + "name": "Voltage-dependent calcium channel 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(https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7096974/#CR20). It's believed to elicit an antibody-dependent cell-mediated cytotoxicity activity in vivo ()https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4000855/.", + "directed": true, + "graph": { + "_id": "DB00110_MESH_D018357_1", + "disease": "Respiratory syncytial virus infection", + "disease_mesh": "MESH:D018357", + "drug": "palivizumab", + "drug_mesh": "MESH:D000069455", + "drugbank": "DB:DB00110" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000069455", + "target": "UniProt:P13843" + }, + { + "key": "positively regulates", + "source": "UniProt:P13843", + "target": "GO:0019064" + }, + { + "key": "positively regulates", + "source": "UniProt:P13843", + "target": "GO:0046718" + }, + { + "key": "in taxon", + "source": "GO:0046718", + "target": "taxonomy:12814" + }, + { + "key": "in taxon", + "source": "GO:0019064", + "target": "taxonomy:12814" + }, + { + "key": "causes", + "source": "taxonomy:12814", + "target": "MESH:D018357" + } + ], + "multigraph": true, + "nodes": [ + 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"https://go.drugbank.com/drugs/DB01603#mechanism-of-action", + "https://en.wikipedia.org/wiki/Sinusitis#Acute", + "https://en.wikipedia.org/wiki/Methicillin#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01603_MESH_D011023_1", + "disease": "Staphylococcal pneumonia", + "disease_mesh": "MESH:D011023", + "drug": "meticillin", + "drug_mesh": "MESH:D008712", + "drugbank": "DB:DB01603" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D008712", + "target": "UniProt:P0A3M6" + }, + { + "key": "negatively regulates", + "source": "MESH:D008712", + "target": "UniProt:Q8DR59" + }, + { + "key": "positively regulates", + "source": "UniProt:P0A3M6", + "target": "GO:0071972" + }, + { + "key": "positively regulates", + "source": "UniProt:Q8DR59", + "target": "GO:0008955" + }, + { + "key": "positively correlated with", + "source": "GO:0071972", + "target": "GO:0018104" + }, + { + "key": "positively correlated with", + "source": "GO:0008955", + "target": "GO:0018104" + }, + { + "key": "positively correlated with", + "source": "GO:0018104", + "target": "GO:0031504" + }, + { + "key": "in taxon", + "source": "GO:0031504", + "target": "taxonomy:1313" + }, + { + "key": "causes", + "source": "taxonomy:1313", + "target": "MESH:D011023" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008712", + "label": "Drug", + "name": "meticillin" + }, + { + "id": "UniProt:Q8DR59", + "label": "Protein", + "name": "Penicillin-binding protein 1A" + }, + { + "id": "UniProt:P0A3M6", + "label": "Protein", + "name": "Penicillin-binding protein 2B" + }, + { + "id": "GO:0071972", + "label": "MolecularActivity", + "name": "peptidoglycan L,D-transpeptidase activity" + }, + { + "id": "GO:0008955", + "label": "MolecularActivity", + "name": "peptidoglycan glycosyltransferase activity" + }, + { + "id": "GO:0018104", + "label": "BiologicalProcess", + "name": "peptidoglycan-protein cross-linking" + }, + { + "id": "GO:0031504", + "label": "BiologicalProcess", + "name": "peptidoglycan-based cell wall organization" + }, + { + "id": "taxonomy:1313", + "label": "OrganismTaxon", + "name": "Streptococcus pneumoniae" + }, + { + "id": "MESH:D011023", + "label": "Disease", + "name": "Staphylococcal pneumonia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01603#mechanism-of-action", + "https://en.wikipedia.org/wiki/Methicillin#Mechanism_of_action" + ] + }, + { + "comment": "This antibiotic inhbits beta-lactamases, enzymes that break antibiotics and therefore provide resistance to ampicillin and related beta-lacam antibiotics. Avibactam therefore is useful to treat infections caused by bacteria that are multi-resistant to \u03b2-lactam antibiotics.", + "directed": true, + "graph": { + "_id": "DB09060_MESH_D059413_1", + "disease": "Infectious disease of abdomen", + "disease_mesh": "MESH:D059413", + "drug": "avibactam", + "drug_mesh": "MESH:C543519", + "drugbank": "DB:DB09060" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C543519", + "target": "UniProt:P0A9Z7" + }, + { + "key": "negatively regulates", + "source": "MESH:C543519", + "target": "UniProt:P0AD63" + }, + { + "key": "negatively regulates", + "source": "MESH:C543519", + "target": "UniProt:P62593" + }, + { + "key": "positively regulates", + "source": "UniProt:P0A9Z7", + "target": "GO:0008800" + }, + { + "key": "positively regulates", + "source": "UniProt:P0AD63", + "target": "GO:0008800" + }, + { + "key": "positively regulates", + "source": "UniProt:P62593", + "target": "GO:0008800" + }, + { + "key": "in taxon", + "source": "GO:0008800", + "target": "taxonomy:562" + }, + { + "key": "causes", + "source": "taxonomy:562", + "target": "MESH:D059413" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C543519", + "label": "Drug", + "name": "avibactam" + }, + { + "id": "UniProt:P0A9Z7", + "label": "Protein", + "name": "Beta-lactamase SHV-2" + }, + { + "id": "UniProt:P0AD63", + "label": "Protein", + "name": "Beta-lactamase SHV-1" + }, + { + "id": "UniProt:P62593", + "label": "Protein", + "name": "Beta-lactamase TEM" + }, + { + "id": "GO:0008800", + "label": "MolecularActivity", + "name": "beta-lactamase activity" + }, + { + "id": "taxonomy:562", + "label": "OrganismTaxon", + "name": "Escherichia coli" + }, + { + "id": "MESH:D059413", + "label": "Disease", + "name": "Infectious disease of abdomen" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09060#mechanism-of-action" + ] + }, + { + "comment": "This antibiotic inhbits beta-lactamases, enzymes that break antibiotics and therefore provide resistance to ampicillin and related beta-lacam antibiotics. Avibactam therefore is useful to treat infections caused by bacteria that are multi-resistant to \u03b2-lactam antibiotics.", + "directed": true, + "graph": { + "_id": "DB09060_MESH_D059413_2", + "disease": "Infectious disease of abdomen", + "disease_mesh": "MESH:D059413", + "drug": "avibactam", + "drug_mesh": "MESH:C543519", + "drugbank": "DB:DB09060" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C543519", + "target": "UniProt:P0AD64" + }, + { + "key": "negatively regulates", + "source": "MESH:C543519", + "target": "UniProt:Q9F663" + }, + { + "key": "positively regulates", + "source": "UniProt:P0AD64", + "target": "GO:0008800" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9F663", + "target": "GO:0008800" + }, + { + "key": "in taxon", + "source": "GO:0008800", + "target": "taxonomy:573" + }, + { + "key": "causes", + "source": "taxonomy:573", + "target": "MESH:D059413" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C543519", + "label": "Drug", + "name": "avibactam" + }, + { + "id": "UniProt:Q9F663", + "label": "Protein", + "name": "Carbapenem-hydrolyzing beta-lactamase KPC" + }, + { + "id": "UniProt:P0AD64", + "label": "Protein", + "name": "Beta-lactamase SHV-1" + }, + { + "id": "GO:0008800", + "label": "MolecularActivity", + "name": "beta-lactamase activity" + }, + { + "id": "taxonomy:573", + "label": "OrganismTaxon", + "name": "Klebsiella pneumoniae" + }, + { + "id": "MESH:D059413", + "label": "Disease", + "name": "Infectious disease of abdomen" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09060#mechanism-of-action" + ] + }, + { + "comment": "This antibiotic inhbits beta-lactamases, enzymes that break antibiotics and therefore provide resistance to ampicillin and related beta-lacam antibiotics. Avibactam therefore is useful to treat infections caused by bacteria that are multi-resistant to \u03b2-lactam antibiotics.", + "directed": true, + "graph": { + "_id": "DB09060_MESH_D059413_3", + "disease": "Infectious disease of abdomen", + "disease_mesh": "MESH:D059413", + "drug": "avibactam", + "drug_mesh": "MESH:C543519", + "drugbank": "DB:DB09060" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C543519", + "target": "UniProt:P05364" + }, + { + "key": "positively regulates", + "source": "UniProt:P05364", + "target": "GO:0008800" + }, + { + "key": "in taxon", + "source": "GO:0008800", + "target": "taxonomy:550" + }, + { + "key": "causes", + "source": "taxonomy:550", + "target": "MESH:D059413" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C543519", + "label": "Drug", + "name": "avibactam" + }, + { + "id": "UniProt:P05364", + "label": "Protein", + "name": "Beta-lactamase" + }, + { + "id": "GO:0008800", + "label": "MolecularActivity", + "name": "beta-lactamase activity" + }, + { + "id": "taxonomy:550", + "label": "OrganismTaxon", + "name": "Enterobacter cloacae" + }, + { + "id": "MESH:D059413", + "label": "Disease", + "name": "Infectious disease of abdomen" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09060#mechanism-of-action" + ] + }, + { + "comment": "This antibiotic inhbits beta-lactamases, enzymes that break antibiotics and therefore provide resistance to ampicillin and related beta-lacam antibiotics. Avibactam therefore is useful to treat infections caused by bacteria that are multi-resistant to \u03b2-lactam antibiotics.", + "directed": true, + "graph": { + "_id": "DB09060_MESH_D059413_4", + "disease": "Infectious disease of abdomen", + "disease_mesh": "MESH:D059413", + "drug": "avibactam", + "drug_mesh": "MESH:C543519", + "drugbank": "DB:DB09060" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C543519", + "target": "UniProt:P37321" + }, + { + "key": "positively regulates", + "source": "UniProt:P37321", + "target": "GO:0008800" + }, + { + "key": "in taxon", + "source": "GO:0008800", + "target": "taxonomy:287" + }, + { + "key": "causes", + "source": "taxonomy:287", + "target": "MESH:D059413" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C543519", + "label": "Drug", + "name": "avibactam" + }, + { + "id": "UniProt:P37321", + "label": "Protein", + "name": "Extended-spectrum beta-lactamase PER-1" + }, + { + "id": "GO:0008800", + "label": "MolecularActivity", + "name": "beta-lactamase activity" + }, + { + "id": "taxonomy:287", + "label": "OrganismTaxon", + "name": "Pseudomonas aeruginosa" + }, + { + "id": "MESH:D059413", + "label": "Disease", + "name": "Infectious disease of abdomen" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09060#mechanism-of-action" + ] + }, + { + "comment": "This antibiotic inhbits beta-lactamases, enzymes that break antibiotics and therefore provide resistance to ampicillin and related beta-lacam antibiotics. Avibactam therefore is useful to treat infections caused by bacteria that are multi-resistant to \u03b2-lactam antibiotics. The majority of cases of pyelonephritis are caused by E.coli (https://en.wikipedia.org/wiki/Pyelonephritis#Causes), hence using this species in the indication path here.", + "directed": true, + "graph": { + "_id": "DB09060_MESH_D011704_1", + "disease": "Pyelonephritis", + "disease_mesh": "MESH:D011704", + "drug": "avibactam", + "drug_mesh": "MESH:C543519", + "drugbank": "DB:DB09060" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C543519", + "target": "UniProt:P0A9Z7" + }, + { + "key": "negatively regulates", + "source": "MESH:C543519", + "target": "UniProt:P0AD63" + }, + { + "key": "negatively regulates", + "source": "MESH:C543519", + "target": "UniProt:P62593" + }, + { + "key": "positively regulates", + "source": "UniProt:P0A9Z7", + "target": "GO:0008800" + }, + { + "key": "positively regulates", + "source": "UniProt:P0AD63", + "target": "GO:0008800" + }, + { + "key": "positively regulates", + "source": "UniProt:P62593", + "target": "GO:0008800" + }, + { + "key": "in taxon", + "source": "GO:0008800", + "target": "taxonomy:562" + }, + { + "key": "causes", + "source": "taxonomy:562", + "target": "MESH:D011704" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C543519", + "label": "Drug", + "name": "avibactam" + }, + { + "id": "UniProt:P0A9Z7", + "label": "Protein", + "name": "Beta-lactamase SHV-2" + }, + { + "id": "UniProt:P0AD63", + "label": "Protein", + "name": "Beta-lactamase SHV-1" + }, + { + "id": "UniProt:P62593", + "label": "Protein", + "name": "Beta-lactamase TEM" + }, + { + "id": "GO:0008800", + "label": "MolecularActivity", + "name": "beta-lactamase activity" + }, + { + "id": "taxonomy:562", + "label": "OrganismTaxon", + "name": "Escherichia coli" + }, + { + "id": "MESH:D011704", + "label": "Disease", + "name": "Pyelonephritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09060#mechanism-of-action" + ] + }, + { + "comment": "No mechanism of action available either in DrugBank (https://go.drugbank.com/drugs/DB12225#mechanism-of-action) or ChEMBL (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL3126842/) as per 02032021.", + "directed": true, + "graph": { + "_id": "DB12225_MESH_D019698_1", + "disease": "Chronic hepatitis C", + "disease_mesh": "MESH:D019698", + "drug": "beclabuvir", + "drug_mesh": "MESH:C587012", + "drugbank": "DB:DB12225" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C587012", + "target": "UniProt:P27958" + }, + { + "key": "positively regulates", + "source": "UniProt:P27958", + "target": "GO:0039694" + }, + { + "key": "in taxon", + "source": "GO:0039694", + "target": "taxonomy:63746" + }, + { + "key": "causes", + "source": "taxonomy:63746", + "target": "MESH:D019698" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C587012", + "label": "Drug", + "name": "beclabuvir" + }, + { + "id": "UniProt:P27958", + "label": "Protein", + "name": "Genome polyprotein" + }, + { + "id": "GO:0039694", + "label": "BiologicalProcess", + "name": "viral RNA genome replication" + }, + { + "id": "taxonomy:63746", + "label": "OrganismTaxon", + "name": "Hepatitis C virus (isolate H77)" + }, + { + "id": "MESH:D019698", + "label": "Disease", + "name": "Chronic hepatitis C" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Beclabuvir", + "https://pubchem.ncbi.nlm.nih.gov/compound/56934415#section=Pharmacology-and-Biochemistry", + "https://www.kegg.jp/entry/D10610", + "https://en.wikipedia.org/wiki/Hepatitis_C_virus#Molecular_biology" + ] + }, + { + "comment": "This drug converts uric acid into allantoin, therefore it clears uric acid from the blood (whose elevated levels - Hyperuricemia - can lead to gout).", + "directed": true, + "graph": { + "_id": "DB09208_MESH_D006073_1", + "disease": "Gout", + "disease_mesh": "MESH:D006073", + "drug": "pegloticase", + "drug_mesh": "MESH:C031545", + "drugbank": "DB:DB09208" + }, + "links": [ + { + "key": "decreases abundance of", + "source": "MESH:C031545", + "target": "CHEBI:27226" + }, + { + "key": "positively correlated with", + "source": "CHEBI:27226", + "target": "HP:0002149" + }, + { + "key": "manifestation of", + "source": "HP:0002149", + "target": "MESH:D006073" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C031545", + "label": "Drug", + "name": "pegloticase" + }, + { + "id": "CHEBI:27226", + "label": "ChemicalSubstance", + "name": "uric acid" + }, + { + "id": "HP:0002149", + "label": "PhenotypicFeature", + "name": "Hyperuricemia" + }, + { + "id": "MESH:D006073", + "label": "Disease", + "name": "Gout" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09208#mechanism-of-action", + "https://en.wikipedia.org/wiki/Pegloticase#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06684_MESH_D003865_1", + "disease": "Major depressive disorder", + "disease_mesh": "MESH:D003865", + "drug": "vilazodone", + "drug_mesh": "MESH:D000069503", + "drugbank": "DB:DB06684" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000069503", + "target": "UniProt:P31645" + }, + { + "key": "positively regulates", + "source": "UniProt:P31645", + "target": "GO:0051610" + }, + { + "key": "positively correlated with", + "source": "GO:0051610", + "target": "MESH:D003865" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069503", + "label": "Drug", + "name": "vilazodone" + }, + { + "id": "UniProt:P31645", + "label": "Protein", + "name": "Sodium-dependent serotonin transporter" + }, + { + "id": "GO:0051610", + "label": "BiologicalProcess", + "name": "serotonin uptake" + }, + { + "id": "MESH:D003865", + "label": "Disease", + "name": "Major depressive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06684#mechanism-of-action", + "https://go.drugbank.com/drugs/DB06684#BE0000749" + ] + }, + { + "comment": "this drug is a partial agonist at postsynaptic 5-HT1A receptors (https://en.wikipedia.org/wiki/5-HT1A_receptor#Partial_agonists) and are sometimes used in low doses as augmentation to SSRIs (https://en.wikipedia.org/wiki/5-HT1A_receptor#Neuromodulation).", + "directed": true, + "graph": { + "_id": "DB06684_MESH_D003865_2", + "disease": "Major depressive disorder", + "disease_mesh": "MESH:D003865", + "drug": "vilazodone", + "drug_mesh": "MESH:D000069503", + "drugbank": "DB:DB06684" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D000069503", + "target": "UniProt:P08908" + }, + { + "key": "positively regulates", + "source": "UniProt:P08908", + "target": "GO:0060096" + }, + { + "key": "negatively correlated with", + "source": "GO:0060096", + "target": "MESH:D003865" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069503", + "label": "Drug", + "name": "vilazodone" + }, + { + "id": "UniProt:P08908", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 1A" + }, + { + "id": "GO:0060096", + "label": "BiologicalProcess", + "name": "serotonin secretion, neurotransmission" + }, + { + "id": "MESH:D003865", + "label": "Disease", + "name": "Major depressive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06684#mechanism-of-action", + "https://go.drugbank.com/drugs/DB06684#BE0000291", + "https://en.wikipedia.org/wiki/5-HT1A_receptor", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4841022/", + "https://en.wikipedia.org/wiki/5-HT1A_receptor#cite_note-pmid2883013-21", + "https://pubmed.ncbi.nlm.nih.gov/12559651/" + ] + }, + { + "comment": "The drug name available in the original file (before curation) was Rutoside. This is one of the synonyms of Rutin, which is the canonical name in DrugBank). Its mechanism of action is not well reported. Some sources have it as an aid to enhance the action of vitamin C (https://www.drugs.com/mtm/rutin.html), whereas others describe rutin (aka vitamin P) acting as a \"sparing factor, which slows the oxidation of vitamin C\" into dehydroascorbic acid (https://en.wikipedia.org/wiki/Dehydroascorbic_acid).", + "directed": true, + "graph": { + "_id": "DB01698_MESH_D001206_1", + "disease": "Ascorbic acid deficiency", + "disease_mesh": "MESH:D001206", + "drug": "Rutin", + "drug_mesh": "MESH:D012431", + "drugbank": "DB:DB01698" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D012431", + "target": "CHEBI:21241" + }, + { + "key": "positively correlated with", + "source": "CHEBI:21241", + "target": "MESH:D001205" + }, + { + "key": "negatively correlated with", + "source": "MESH:D001205", + "target": "MESH:D001206" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D012431", + "label": "Drug", + "name": "Rutin" + }, + { + "id": "CHEBI:21241", + "label": 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"https://en.wikipedia.org/wiki/Secondary_hyperparathyroidism#Cause", + "https://en.wikipedia.org/wiki/Etelcalcetide#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01166_MESH_D007383_1", + "disease": "Intermittent claudication", + "disease_mesh": "MESH:D007383", + "drug": "cilostazol", + "drug_mesh": "MESH:C045645", + "drugbank": "DB:DB01166" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C045645", + "target": "UniProt:Q14432" + }, + { + "key": "positively regulates", + "source": "UniProt:Q14432", + "target": "GO:0004115" + }, + { + "key": "decreases abundance of", + "source": "GO:0004115", + "target": "CHEBI:17489" + }, + { + "key": "increases activity of", + "source": "CHEBI:17489", + "target": "MESH:D017868" + }, + { + "key": "positively correlated with", + "source": "MESH:D017868", + "target": "GO:0042311" + }, + { + "key": "negatively correlated with", + "source": "MESH:D017868", + "target": "GO:0070527" + }, + { + "key": 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claudication" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01166#mechanism-of-action", + "https://en.wikipedia.org/wiki/Cilostazol#Mechanism", + "https://www.sciencedirect.com/science/article/pii/S1078588402917958", + "https://www.jvascsurg.org/article/0741-5214(86)90027-3/fulltext" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01144_MESH_D005902_1", + "disease": "Open-angle glaucoma", + "disease_mesh": "MESH:D005902", + "drug": "dichlorphenamide", + "drug_mesh": "MESH:D004005", + "drugbank": "DB:DB01144" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D004005", + "target": "UniProt:P00915" + }, + { + "key": "negatively regulates", + "source": "MESH:D004005", + "target": "UniProt:P00918" + }, + { + "key": "negatively regulates", + "source": "MESH:D004005", + "target": "UniProt:P22748" + }, + { + "key": "negatively regulates", + "source": "MESH:D004005", + "target": "UniProt:P43166" + }, + { + "key": "negatively regulates", + 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"dichlorphenamide" + }, + { + "id": "UniProt:P00915", + "label": "Protein", + "name": "Carbonic anhydrase 1" + }, + { + "id": "UniProt:P00918", + "label": "Protein", + "name": "Carbonic anhydrase 2" + }, + { + "id": "UniProt:P22748", + "label": "Protein", + "name": "Carbonic anhydrase 4" + }, + { + "id": "UniProt:P43166", + "label": "Protein", + "name": "Carbonic anhydrase 7" + }, + { + "id": "UniProt:O43570", + "label": "Protein", + "name": "Carbonic anhydrase 12" + }, + { + "id": "GO:0015701", + "label": "BiologicalProcess", + "name": "bicarbonate transport" + }, + { + "id": "UBERON:0001796", + "label": "GrossAnatomicalStructure", + "name": "aqueous humor of eyeball" + }, + { + "id": "HP:0007906", + "label": "PhenotypicFeature", + "name": "Ocular Hypertension" + }, + { + "id": "MESH:D005902", + "label": "Disease", + "name": "Open-angle glaucoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01144#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL17/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC506660/", + "https://en.wikipedia.org/wiki/Glaucoma#Medication", + "https://www.aaopt.org/docs/knowledge-base/outline26514.doc?sfvrsn=5f863d3_0", + "https://en.wikipedia.org/wiki/Aqueous_humour#Clinical_significance" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB08842_MESH_D000544_1", + "disease": "Alzheimer Disease", + "disease_mesh": "MESH:D000544", + "drug": "Acetylcarnitine", + "drug_mesh": "MESH:D000108", + "drugbank": "DB:DB08842" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D000108", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "MESH:D000108", + "target": "GO:0035249" + }, + { + "key": "increases activity of", + "source": "MESH:D000108", + "target": "GO:0005947" + }, + { + "key": "increases activity of", + "source": "MESH:D000108", + "target": "GO:0004129" + }, + { + "key": "decreases abundance 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"name": "interleukin-11 receptor activity" + }, + { + "id": "GO:0035726", + "label": "BiologicalProcess", + "name": "common myeloid progenitor cell proliferation" + }, + { + "id": "GO:0030220", + "label": "BiologicalProcess", + "name": "platelet formation" + }, + { + "id": "MESH:D013921", + "label": "Disease", + "name": "Thrombocytopenic disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00038#mechanism-of-action", + "https://en.wikipedia.org/wiki/Oprelvekin" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00038_MESH_D013921_2", + "disease": "Thrombocytopenic disorder", + "disease_mesh": "MESH:D013921", + "drug": "oprelvekin", + "drug_mesh": "MESH:C105308", + "drugbank": "DB:DB00038" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C105308", + "target": "UniProt:Q14626" + }, + { + "key": "positively regulates", + "source": "UniProt:Q14626", + "target": "GO:0004921" + }, + { + "key": "positively correlated with", + "source": "GO:0004921", + "target": "GO:0035726" + }, + { + "key": "positively correlated with", + "source": "GO:0035726", + "target": "MESH:D034061" + }, + { + "key": "negatively correlated with", + "source": "MESH:D034061", + "target": "MESH:D013921" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C105308", + "label": "Drug", + "name": "oprelvekin" + }, + { + "id": "UniProt:Q14626", + "label": "Protein", + "name": "Interleukin-11 receptor subunit alpha" + }, + { + "id": "GO:0004921", + "label": "MolecularActivity", + "name": "interleukin-11 receptor activity" + }, + { + "id": "GO:0035726", + "label": "BiologicalProcess", + "name": "common myeloid progenitor cell proliferation" + }, + { + "id": "MESH:D034061", + "label": "BiologicalProcess", + "name": "Thrombopoiesis" + }, + { + "id": "MESH:D013921", + "label": "Disease", + "name": "Thrombocytopenic disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00038#mechanism-of-action", + "https://en.wikipedia.org/wiki/Oprelvekin" + ] + }, + { + "comment": "Sclerosing solutions cause the vein to scar, forcing blood to reroute through healthier veins. The collapsed vein is reabsorbed into local tissue and eventually fades (https://www.mayoclinic.org/tests-procedures/sclerotherapy/about/pac-20384592).", + "directed": true, + "graph": { + "_id": "DB00464_MESH_D014648_1", + "disease": "Venous varices", + "disease_mesh": "MESH:D014648", + "drug": "sodium tetradecyl sulfate", + "drug_mesh": "MESH:D012981", + "drugbank": "DB:DB00464" + }, + "links": [ + { + "key": "part of", + "source": "MESH:D012981", + "target": "MESH:D012597" + }, + { + "key": "negatively correlated with", + "source": "MESH:D012597", + "target": "HP:0012514" + }, + { + "key": "negatively correlated with", + "source": "MESH:D012597", + "target": "HP:0010741" + }, + { + "key": "manifestation of", + "source": "HP:0012514", + "target": "MESH:D014648" + }, + { + "key": "manifestation of", + "source": "HP:0010741", + "target": "MESH:D014648" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D012981", + "label": "Drug", + "name": "sodium tetradecyl sulfate" + }, + 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the MESH website, Vascular Diseases, is the one used here.", + "directed": true, + "graph": { + "_id": "DB00797_MESH_D014652_2", + "disease": "Vascular Diseases", + "disease_mesh": "MESH:D014652", + "drug": "tolazoline", + "drug_mesh": "MESH:D014043", + "drugbank": "DB:DB00797" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D014043", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "MESH:D014043", + "target": "UniProt:P25021" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0042311" + }, + { + "key": "positively regulates", + "source": "UniProt:P25021", + "target": "GO:0042311" + }, + { + "key": "negatively correlated with", + "source": "GO:0042311", + "target": "MESH:D014652" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014043", + "label": "Drug", + "name": "tolazoline" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + 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"DB01144_MESH_D015812_1", + "disease": "Angle-closure glaucoma", + "disease_mesh": "MESH:D015812", + "drug": "dichlorphenamide", + "drug_mesh": "MESH:D004005", + "drugbank": "DB:DB01144" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D004005", + "target": "UniProt:P00915" + }, + { + "key": "negatively regulates", + "source": "MESH:D004005", + "target": "UniProt:P00918" + }, + { + "key": "negatively regulates", + "source": "MESH:D004005", + "target": "UniProt:P22748" + }, + { + "key": "negatively regulates", + "source": "MESH:D004005", + "target": "UniProt:P43166" + }, + { + "key": "negatively regulates", + "source": "MESH:D004005", + "target": "UniProt:O43570" + }, + { + "key": "positively regulates", + "source": "UniProt:P00915", + "target": "GO:0015701" + }, + { + "key": "positively regulates", + "source": "UniProt:P00918", + "target": "GO:0015701" + }, + { + "key": "positively regulates", + "source": "UniProt:P22748", + "target": "GO:0015701" + }, + { + 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anhydrase 7" + }, + { + "id": "UniProt:O43570", + "label": "Protein", + "name": "Carbonic anhydrase 12" + }, + { + "id": "GO:0015701", + "label": "BiologicalProcess", + "name": "bicarbonate transport" + }, + { + "id": "UBERON:0001796", + "label": "GrossAnatomicalStructure", + "name": "aqueous humor of eyeball" + }, + { + "id": "HP:0007906", + "label": "PhenotypicFeature", + "name": "Ocular Hypertension" + }, + { + "id": "MESH:D015812", + "label": "Disease", + "name": "Angle-closure glaucoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01144#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL17/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC506660/", + "https://en.wikipedia.org/wiki/Glaucoma#Medication\\", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC506660/", + "https://www.aaopt.org/docs/knowledge-base/outline26514.doc?sfvrsn=5f863d3_0", + "https://en.wikipedia.org/wiki/Aqueous_humour#Clinical_significance" + ] + }, + { + "comment": "This drug is fungistatic at concetrations up to 20 mcg/mL, and is fungicidal in vitro when used at higher concentrations. Also please note that MESH:D002181 was initially denoted as Candidal vulvovaginitis in the original xls file but the name on the MESH website, which is Candidiasis, Vulvovaginal, is the one used here for our annotation.", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D002181_1", + "disease": "Candidiasis, Vulvovaginal", + "disease_mesh": "MESH:D002181", + "drug": "clotrimazole", + "drug_mesh": "MESH:D003022", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D003022", + "target": "UniProt:P10613" + }, + { + "key": "positively regulates", + "source": "UniProt:P10613", + "target": "GO:0006696" + }, + { + "key": "produces", + "source": "GO:0006696", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "regulates", + "source": "GO:0030445", + "target": "MESH:D002463" + }, + { + "key": "in taxon", + "source": "MESH:D002463", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MESH:D002181" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003022", + "label": "Drug", + "name": "clotrimazole" + }, + { + "id": "UniProt:P10613", + "label": "Protein", + "name": "Lanosterol 14-alpha demethylase" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "MESH:D002463", + "label": "PhenotypicFeature", + "name": "Cell Membrane Permeability" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D002181", + "label": "Disease", + "name": "Candidiasis, Vulvovaginal" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00257#BE0000233", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Ergosterol#Target_for_antifungal_drugs" + ] + }, + { + "comment": "Diaper rash can be caused by different factors, including fungus, when it's known as diaper candidiasis. If a fungal origin is identified, the treatment is based on antifungals (e.g. clotrimazole). Therefore the original cause must be determined first as the treatments vary (https://en.wikipedia.org/wiki/Irritant_diaper_dermatitis#Secondary_infections).", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D003963_1", + "disease": "Diaper rash", + "disease_mesh": "MESH:D003963", + "drug": "clotrimazole", + "drug_mesh": "MESH:D003022", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D003022", + "target": "UniProt:P10613" + }, + { + "key": "positively regulates", + "source": "UniProt:P10613", + "target": "GO:0006696" + }, + { + "key": "produces", + "source": "GO:0006696", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "regulates", + "source": "GO:0030445", + "target": "MESH:D002463" + }, + { + "key": "in taxon", + "source": "MESH:D002463", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MESH:D003963" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003022", + "label": "Drug", + "name": "clotrimazole" + }, + { + "id": "UniProt:P10613", + "label": "Protein", + "name": "Lanosterol 14-alpha demethylase" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "MESH:D002463", + "label": "PhenotypicFeature", + "name": "Cell Membrane Permeability" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D003963", + "label": "Disease", + "name": "Diaper rash" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00257#BE0000233", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Ergosterol#Target_for_antifungal_drugs" + ] + }, + { + "comment": "MESH:D002179 was initially denoted as Candidiasis of skin in the original xls file but the name on the MESH website, which is Candidiasis, Cutaneous, is the one used here for our annotation.", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D002179_1", + "disease": "Candidiasis, Cutaneous", + "disease_mesh": "MESH:D002179", + "drug": "clotrimazole", + "drug_mesh": "MESH:D003022", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D003022", + "target": "UniProt:P10613" + }, + { + "key": "positively regulates", + "source": "UniProt:P10613", + "target": "GO:0006696" + }, + { + "key": "produces", + "source": "GO:0006696", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "regulates", + "source": "GO:0030445", + "target": "MESH:D002463" + }, + { + "key": "in taxon", + "source": "MESH:D002463", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MESH:D002179" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003022", + "label": "Drug", + "name": "clotrimazole" + }, + { + "id": "UniProt:P10613", + "label": "Protein", + "name": "Lanosterol 14-alpha demethylase" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "MESH:D002463", + "label": "PhenotypicFeature", + "name": "Cell Membrane Permeability" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D002179", + "label": "Disease", + "name": "Candidiasis, Cutaneous" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00257#BE0000233", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Ergosterol#Target_for_antifungal_drugs" + ] + }, + { + "comment": "MESH:D002180 was initially denoted as Candidiasis of mouth in the original xls file but the name on the MESH website, which is Candidiasis, Oral, is the one used here.", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D002180_1", + "disease": "Candidiasis, Oral", + "disease_mesh": "MESH:D002180", + "drug": "clotrimazole", + "drug_mesh": "MESH:D003022", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D003022", + "target": "UniProt:P10613" + }, + { + "key": "positively regulates", + "source": "UniProt:P10613", + "target": "GO:0006696" + }, + { + "key": "produces", + "source": "GO:0006696", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "regulates", + "source": "GO:0030445", + "target": "MESH:D002463" + }, + { + "key": "in taxon", + "source": "MESH:D002463", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MESH:D002180" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003022", + "label": "Drug", + "name": "clotrimazole" + }, + { + "id": "UniProt:P10613", + "label": "Protein", + "name": "Lanosterol 14-alpha demethylase" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "MESH:D002463", + "label": "PhenotypicFeature", + "name": "Cell Membrane Permeability" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D002180", + "label": "Disease", + "name": "Candidiasis, Oral" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00257#BE0000233", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Ergosterol#Target_for_antifungal_drugs" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00257_MESH_D014008_1", + "disease": "Tinea pedis", + "disease_mesh": "MESH:D014008", + "drug": "clotrimazole", + "drug_mesh": "MESH:D003022", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "disrupts", + "source": "MESH:D003022", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "in taxon", + "source": "GO:0030445", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MESH:D014008" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003022", + "label": "Drug", + "name": "clotrimazole" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D014008", + "label": "Disease", + "name": "Tinea pedis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00257#BE0000233", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Ergosterol#Target_for_antifungal_drugs" + ] + }, + { + "comment": "MESH:D014010 was initially denoted as Pityriasis versicolor in the original xls file but the name on the MESH website, Tinea Versicolor, is the one used here for our annotation.", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D014010_1", + "disease": "Tinea Versicolor", + "disease_mesh": "MESH:D014010", + "drug": "clotrimazole", + "drug_mesh": "MESH:D003022", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D003022", + "target": "UniProt:P10613" + }, + { + "key": "positively regulates", + "source": "UniProt:P10613", + "target": "GO:0006696" + }, + { + "key": "produces", + "source": "GO:0006696", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "regulates", + "source": "GO:0030445", + "target": "MESH:D002463" + }, + { + "key": "in taxon", + "source": "MESH:D002463", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MESH:D014010" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003022", + "label": "Drug", + "name": "clotrimazole" + }, + { + "id": "UniProt:P10613", + "label": "Protein", + "name": "Lanosterol 14-alpha demethylase" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "MESH:D002463", + "label": "PhenotypicFeature", + "name": "Cell Membrane Permeability" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D014010", + "label": "Disease", + "name": "Tinea Versicolor" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00257#BE0000233", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Ergosterol#Target_for_antifungal_drugs" + ] + }, + { + "comment": "MESH:D016780 was initially denoted as Falciparum malaria in the original xls file but the name on the MESH website is Malaria, Falciparum, which is the name used here.", + "directed": true, + "graph": { + "_id": "DB09274_MESH_D016778_1", + "disease": "Malaria, Falciparum", + "disease_mesh": "MESH:D016778", + "drug": "Artesunate", + "drug_mesh": "MESH:D000077332", + "drugbank": "DB:DB09274" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000077332", + "target": "UniProt:P04926" + }, + { + "key": "in taxon", + "source": "UniProt:P04926", + "target": "taxonomy:5833" + }, + { + "key": "causes", + "source": "taxonomy:5833", + "target": "MESH:D016778" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C111789" + ], + "id": "MESH:D000077332", + "label": "Drug", + "name": "Artesunate" + }, + { + "id": "UniProt:P04926", + "label": "Protein", + "name": "Malaria protein EXP-1" + }, + { + "id": "taxonomy:5833", + "label": "OrganismTaxon", + "name": "Plasmodium falciparum" + }, + { + "id": "MESH:D016778", + "label": "Disease", + "name": "Malaria, Falciparum" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09274#mechanism-of-action", + "https://pubchem.ncbi.nlm.nih.gov/compound/6917864#section=Pharmacology-and-Biochemistry" + ] + }, + { + "comment": "MESH:D016780 was initially denoted as Vivax malaria in the original xls file but the name on the MESH website, Malaria, Vivax, is the one used here.", + "directed": true, + "graph": { + "_id": "DB09274_MESH_D016780_1", + "disease": "Malaria, Vivax", + "disease_mesh": "MESH:D016780", + "drug": "Artesunate", + "drug_mesh": "MESH:D000077332", + "drugbank": "DB:DB09274" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000077332", + "target": "Pfam:PF06589" + }, + { + "key": "in taxon", + "source": "Pfam:PF06589", + "target": "taxonomy:5855" + }, + { + "key": "causes", + "source": "taxonomy:5855", + "target": "MESH:D016780" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C111789" + ], + "id": "MESH:D000077332", + "label": "Drug", + "name": "Artesunate" + }, + { + "id": "Pfam:PF06589", + "label": "GeneFamily", + "name": "Circumsporozoite-related antigen (CRA)" + }, + { + "id": "taxonomy:5855", + "label": "OrganismTaxon", + "name": "Plasmodium vivax" + }, + { + "id": "MESH:D016780", + "label": "Disease", + "name": "Malaria, Vivax" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09274#pharmacodynamics", + "https://pubchem.ncbi.nlm.nih.gov/compound/6917864#section=Pharmacology-and-Biochemistry" + ] + }, + { + "comment": "ABT-267 is also known as ombitasvir (see Other names at https://en.wikipedia.org/wiki/Ombitasvir).", + "directed": true, + "graph": { + "_id": "DB09296_MESH_D019698_1", + "disease": "Chronic hepatitis C", + "disease_mesh": "MESH:D019698", + "drug": "ABT-267", + "drug_mesh": "MESH:C586094", + "drugbank": "DB:DB09296" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C586094", + "target": "UniProt:Q5L478" + }, + { + "key": "molecularly interacts with", + "source": "UniProt:Q5L478", + "target": "MESH:C000618292" + }, + { + "key": "increases abundance of", + "source": "MESH:C000618292", + "target": "MESH:C037178" + }, + { + "key": "positively correlated with", + "source": "MESH:C037178", + "target": "MESH:D002784" + }, + { + "key": "located in", + "source": "MESH:D002784", + "target": "MESH:D000086969" + }, + { + "key": "location of", + "source": "MESH:D000086969", + "target": "GO:0039694" + }, + { + "key": "positively regulates", + "source": "UniProt:Q5L478", + "target": "GO:0003968" + }, + { + "key": "positively regulates", + "source": "GO:0003968", + "target": "GO:0039694" + }, + { + "key": "positively regulates", + "source": "UniProt:Q5L478", + "target": "GO:0004197" + }, + { + "key": "positively regulates", + "source": "UniProt:Q5L478", + "target": "GO:0004252" + }, + { + "key": "positively correlated with", + "source": "GO:0004197", + "target": "MESH:D014779" + }, + { + "key": "positively correlated with", + "source": "GO:0004252", + "target": "MESH:D014779" + }, + { + "key": "positively correlated with", + "source": "MESH:D014779", + "target": "MESH:D019065" + }, + { + "key": "in taxon", + "source": "GO:0039694", + "target": "taxonomy:11103" + }, + { + "key": "in taxon", + "source": "MESH:D019065", + "target": "taxonomy:11103" + }, + { + "key": "causes", + "source": "taxonomy:11103", + "target": "MESH:D019698" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C586094", + "label": "Drug", + "name": "ABT-267" + }, + { + "id": "UniProt:Q5L478", + "label": "Protein", + "name": "Nonstructural protein 5A" + }, + { + "id": "GO:0003968", + "label": "MolecularActivity", + "name": "RNA-directed 5'-3' RNA polymerase activity" + }, + { + "id": "GO:0039694", + "label": "BiologicalProcess", + "name": "viral RNA genome replication" + }, + { + "id": "MESH:C000618292", + "label": "Protein", + "name": "PI4KIIIalpha protein, human" + }, + { + "id": "MESH:C037178", + "label": "ChemicalSubstance", + "name": "phosphatidylinositol 4-phosphate" + }, + { + "id": "MESH:D002784", + "label": "ChemicalSubstance", + "name": "Cholesterol" + }, + { + "id": "MESH:D000086969", + "label": "CellularComponent", + "name": "Viral Replication Compartments" + }, + { + "id": "GO:0004197", + "label": "MolecularActivity", + "name": "cysteine-type endopeptidase activity" + }, + { + "id": "GO:0004252", + "label": "MolecularActivity", + "name": "serine-type endopeptidase activity" + }, + { + "id": "MESH:D014779", + "label": "BiologicalProcess", + "name": "Virus Replication" + }, + { + "id": "MESH:D019065", + "label": "BiologicalProcess", + "name": "Virus Assembly" + }, + { + "id": "taxonomy:11103", + "label": "OrganismTaxon", + "name": "Hepacivirus C" + }, + { + "id": "MESH:D019698", + "label": "Disease", + "name": "Chronic hepatitis C" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09296#mechanism-of-action", + "https://en.wikipedia.org/wiki/Discovery_and_development_of_NS5A_inhibitors#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Discovery_and_development_of_NS5A_inhibitors#Function", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4246218/", + "https://www.ncbi.nlm.nih.gov/books/NBK1623/" + ] + }, + { + "comment": "Other commonly used names for this drug are inositol nicotinate (CHEBI:50134), myo-inositol hexanicotinate (CHEBI:31699) and inositol hexanicotinate (CHEBI:33064)(https://en.wikipedia.org/wiki/Inositol_nicotinate). This drug is made of niacin (vitamin B3, MESH:D009525) and inositol (MESH:D007294. Note the original drug to curate for this disease was inositol but there is no evidence for it to be used as treatment unless it's bound to nicotinic acid to form inositol hexanicotinate).", + "directed": true, + "graph": { + "_id": "DB08949_MESH_D052456_1", + "disease": "Hypoalphalipoproteinemia", + "disease_mesh": "MESH:D052456", + "drug": "Inositol Niacinate", + "drug_mesh": "MESH:C005193", + "drugbank": "DB:DB08949" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:C005193", + "target": "UniProt:Q8TDS4" + }, + { + "key": "positively regulates", + "source": "MESH:C005193", + "target": "UniProt:P49019" + }, + { + "key": "increases abundance of", + "source": "UniProt:Q8TDS4", + "target": "MESH:D008075" + }, + { + "key": "increases abundance of", + "source": "UniProt:P49019", + "target": "MESH:D008075" + }, + { + "key": "negatively correlated with", + "source": "MESH:D008075", + "target": "MESH:D052456" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005193", + "label": "Drug", + "name": "Inositol Niacinate" + }, + { + "id": "UniProt:P49019", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 3" + }, + { + "id": "UniProt:Q8TDS4", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 2" + }, + { + "id": "MESH:D008075", + "label": "ChemicalSubstance", + "name": "Lipoproteins, HDL" + }, + { + "id": "MESH:D052456", + "label": "Disease", + "name": "Hypoalphalipoproteinemia" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Hypoalphalipoproteinemia", + "https://en.wikipedia.org/wiki/Niacin#Mechanisms" + ] + }, + { + "comment": "This disease was named Mixed hyperlipidemia in the original file for curation but it's known as Hyperlipidemia, Familial Combined in MESH. Note there does not seem to be any evidence supporting this drug indication (e.g. https://en.wikipedia.org/wiki/Combined_hyperlipidemia#Treatment), so this path is hypothetic and based on the disease phenotype (i.e increased LDL and triglyceride concentrations). Other commonly used names for this drug are inositol nicotinate (CHEBI:50134), myo inositol hexanicotinate (CHEBI:31699) and inositol hexanicotinate (CHEBI:33064)(https://en.wikipedia.org/wiki/Inositol_nicotinate). This drug is made of niacin (vitamin B3, MESH:D009525) and inositol (MESH:D007294. Note the original drug to curate for this disease was inositol but there is no evidence for it to be used as treatment unless it's bound to nicotinic acid to form inositol hexanicotinate.", + "directed": true, + "graph": { + "_id": "DB08949_MESH_D006950_1", + "disease": "Hyperlipidemia, Familial Combined", + "disease_mesh": "MESH:D006950", + "drug": "Inositol Niacinate", + "drug_mesh": "MESH:C005193", + "drugbank": "DB:DB08949" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C005193", + "target": "UniProt:P49019" + }, + { + "key": "increases activity of", + "source": "MESH:C005193", + "target": "UniProt:Q8TDS4" + }, + { + "key": "participates in", + "source": "UniProt:P49019", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:Q8TDS4", + "target": "reactome:R-HSA-418594" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418594", + "target": "MESH:D014280" + }, + { + "key": "positively correlated with", + "source": "MESH:D014280", + "target": "MESH:C032607" + }, + { + "key": "positively correlated with", + "source": "MESH:D014280", + "target": "MESH:D008078" + }, + { + "key": "positively correlated with", + "source": "MESH:D014280", + "target": "MESH:D008077" + }, + { + "key": "positively correlated with", + "source": "MESH:C032607", + "target": "MESH:D006950" + }, + { + "key": "positively correlated with", + "source": "MESH:D008078", + "target": "MESH:D006950" + }, + { + "key": "positively correlated with", + "source": "MESH:D008077", + "target": "MESH:D006950" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005193", + "label": "Drug", + "name": "Inositol Niacinate" + }, + { + "id": "UniProt:P49019", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 3" + }, + { + "id": "UniProt:Q8TDS4", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 2" + }, + { + "id": "reactome:R-HSA-418594", + "label": "Pathway", + "name": "G alpha (i) signalling events" + }, + { + "id": "MESH:D014280", + "label": "ChemicalSubstance", + "name": "Triglycerides" + }, + { + "id": "MESH:C032607", + "label": "ChemicalSubstance", + "name": "low density lipoprotein triglyceride" + }, + { + "id": "MESH:D008078", + "label": "ChemicalSubstance", + "name": "Cholesterol, LDL" + }, + { + "id": "MESH:D008077", + "label": "ChemicalSubstance", + "name": "Lipoproteins, LDL" + }, + { + "id": "MESH:D006950", + "label": "Disease", + "name": "Hyperlipidemia, Familial Combined" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08949#mechanism-of-action", + "https://en.wikipedia.org/wiki/Triglyceride#Role_in_disease", + "https://pubmed.ncbi.nlm.nih.gov/15083592/", + "https://www.sciencedirect.com/science/article/pii/B978032329738700037X", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5441126/" + ] + }, + { + "comment": "Other commonly used names for this drug are inositol nicotinate (CHEBI:50134), myo-inositol hexanicotinate (CHEBI:31699) and inositol hexanicotinate (CHEBI:33064)(https://en.wikipedia.org/wiki/Inositol_nicotinate). This drug is made of niacin (vitamin B3, MESH:D009525) and inositol (MESH:D007294. Note the original drug to curate for this disease was inositol but there is no evidence for it to be used as treatment unless it's bound to nicotinic acid to form inositol hexanicotinate.", + "directed": true, + "graph": { + "_id": "DB08949_MESH_D015228_1", + "disease": "Hypertriglyceridemia", + "disease_mesh": "MESH:D015228", + "drug": "Inositol Niacinate", + "drug_mesh": "MESH:C005193", + "drugbank": "DB:DB08949" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C005193", + "target": "UniProt:P49019" + }, + { + "key": "increases activity of", + "source": "MESH:C005193", + "target": "UniProt:Q8TDS4" + }, + { + "key": "participates in", + "source": "UniProt:P49019", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:Q8TDS4", + "target": "reactome:R-HSA-418594" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418594", + "target": "MESH:D014280" + }, + { + "key": "positively correlated with", + "source": "MESH:D014280", + "target": "MESH:D015228" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005193", + "label": "Drug", + "name": "Inositol Niacinate" + }, + { + "id": "UniProt:P49019", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 3" + }, + { + "id": "UniProt:Q8TDS4", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 2" + }, + { + "id": "reactome:R-HSA-418594", + "label": "Pathway", + "name": "G alpha (i) signalling events" + }, + { + "id": "MESH:D014280", + "label": "ChemicalSubstance", + "name": "Triglycerides" + }, + { + "id": "MESH:D015228", + "label": "Disease", + "name": "Hypertriglyceridemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08949#mechanism-of-action", + "https://en.wikipedia.org/wiki/Hypertriglyceridemia#Treatment", + "https://en.wikipedia.org/wiki/Triglyceride#Role_in_disease", + "https://pubmed.ncbi.nlm.nih.gov/15083592/", + "https://www.sciencedirect.com/science/article/pii/B978032329738700037X", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5441126/" + ] + }, + { + "comment": "Other commonly used names for this drug are inositol nicotinate (CHEBI:50134), myo-inositol hexanicotinate (CHEBI:31699) and inositol hexanicotinate (CHEBI:33064)(https://en.wikipedia.org/wiki/Inositol_nicotinate). This drug is made of niacin (vitamin B3, MESH:D009525) and inositol (MESH:D007294. Note the original drug to curate for this disease was inositol but there is no evidence for it to be used as treatment unless it's bound to nicotinic acid to form inositol hexanicotinate.", + "directed": true, + "graph": { + "_id": "DB08949_MESH_D006937_1", + "disease": "Hypercholesterolemia", + "disease_mesh": "MESH:D006937", + "drug": "Inositol Niacinate", + "drug_mesh": "MESH:C005193", + "drugbank": "DB:DB08949" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C005193", + "target": "UniProt:P49019" + }, + { + "key": "increases activity of", + "source": "MESH:C005193", + "target": "UniProt:Q8TDS4" + }, + { + "key": "participates in", + "source": "UniProt:P49019", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:Q8TDS4", + "target": "reactome:R-HSA-418594" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418594", + "target": "MESH:D014280" + }, + { + "key": "positively correlated with", + "source": "MESH:D014280", + "target": "MESH:C032607" + }, + { + "key": "positively correlated with", + "source": "MESH:D014280", + "target": "MESH:D008078" + }, + { + "key": "positively correlated with", + "source": "MESH:D014280", + "target": "MESH:D008077" + }, + { + "key": "positively correlated with", + "source": "MESH:C032607", + "target": "MESH:D006937" + }, + { + "key": "positively correlated with", + "source": "MESH:D008078", + "target": "MESH:D006937" + }, + { + "key": "positively correlated with", + "source": "MESH:D008077", + "target": "MESH:D006937" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005193", + "label": "Drug", + "name": "Inositol Niacinate" + }, + { + "id": "UniProt:P49019", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 3" + }, + { + "id": "UniProt:Q8TDS4", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 2" + }, + { + "id": "reactome:R-HSA-418594", + "label": "Pathway", + "name": "G alpha (i) signalling events" + }, + { + "id": "MESH:D014280", + "label": "ChemicalSubstance", + "name": "Triglycerides" + }, + { + "id": "MESH:D008077", + "label": "ChemicalSubstance", + "name": "Lipoproteins, LDL" + }, + { + "id": "MESH:C032607", + "label": "ChemicalSubstance", + "name": "low density lipoprotein triglyceride" + }, + { + "id": "MESH:D008078", + "label": "ChemicalSubstance", + "name": "Cholesterol, LDL" + }, + { + "id": "MESH:D006937", + "label": "Disease", + "name": "Hypercholesterolemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08949#mechanism-of-action", + "https://en.wikipedia.org/wiki/Hypercholesterolemia#Medication", + "https://pubmed.ncbi.nlm.nih.gov/15083592/", + "https://www.sciencedirect.com/science/article/pii/B978032329738700037X", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5441126/" + ] + }, + { + "comment": "MESH:D015451 can also be denoted as Chronic lymphoid leukemia.", + "directed": true, + "graph": { + "_id": "DB11581_MESH_D015451_1", + "disease": "Leukemia, Lymphocytic, Chronic, B-Cell", + "disease_mesh": "MESH:D015451", + "drug": "venetoclax", + "drug_mesh": "MESH:C579720", + "drugbank": "DB:DB11581" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C579720", + "target": "UniProt:P10415" + }, + { + "key": "positively regulates", + "source": "UniProt:P10415", + "target": "GO:0006915" + }, + { + "key": "located in", + "source": "GO:0006915", + "target": "CL:0000542" + }, + { + "key": "location of", + "source": "CL:0000542", + "target": "MESH:D015451" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C579720", + "label": "Drug", + "name": "venetoclax" + }, + { + "id": "UniProt:P10415", + "label": "Protein", + "name": "Apoptosis regulator Bcl-2" + }, + { + "id": "GO:0006915", + "label": "BiologicalProcess", + "name": "apoptotic process" + }, + { + "id": "CL:0000542", + "label": "Cell", + "name": "lymphocyte" + }, + { + "id": "MESH:D015451", + "label": "Disease", + "name": "Leukemia, Lymphocytic, Chronic, B-Cell" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB11581#mechanism-of-action", + "https://en.wikipedia.org/wiki/Bcl-2#Venetoclax_(ABT-199)" + ] + }, + { + "comment": "FDA has withdrawn the approval for marketing this drug as per its cardiovascular side-effects.", + "directed": true, + "graph": { + "_id": "DB01191_MESH_D009765_1", + "disease": "Obesity", + "disease_mesh": "MESH:D009765", + "drug": "dexfenfluramine", + "drug_mesh": "MESH:D020372", + "drugbank": "DB:DB01191" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D020372", + "target": "UniProt:P31645" + }, + { + "key": "positively regulates", + "source": "UniProt:P31645", + "target": "GO:0051610" + }, + { + "key": "affects risk for", + "source": "GO:0051610", + "target": "HP:0100738" + }, + { + "key": "positively correlated with", + "source": "HP:0100738", + "target": "MESH:D009765" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D020372", + "label": "Drug", + "name": "dexfenfluramine" + }, + { + "id": "UniProt:P31645", + "label": "Protein", + "name": "Sodium-dependent serotonin transporter" + }, + { + "id": "GO:0051610", + "label": "BiologicalProcess", + "name": "serotonin uptake" + }, + { + "id": "HP:0100738", + "label": "PhenotypicFeature", + "name": "Abnormal eating behavior" + }, + { + "id": "MESH:D009765", + "label": "Disease", + "name": "Obesity" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01191#mechanism-of-action", + "https://en.wikipedia.org/wiki/Dexfenfluramine" + ] + }, + { + "comment": "FDA has withdrawn the approval for marketing this drug as per its cardiovascular side-effects.", + "directed": true, + "graph": { + "_id": "DB01191_MESH_D009765_2", + "disease": "Obesity", + "disease_mesh": "MESH:D009765", + "drug": "dexfenfluramine", + "drug_mesh": "MESH:D020372", + "drugbank": "DB:DB01191" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D020372", + "target": "UniProt:P28335" + }, + { + "key": "participates in", + "source": "UniProt:P28335", + "target": "reactome:R-HSA-416476" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-416476", + "target": "GO:0007631" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-416476", + "target": "GO:0032098" + }, + { + "key": "positively correlated with", + "source": "GO:0007631", + "target": "MESH:D009765" + }, + { + "key": "negatively correlated with", + "source": "GO:0032098", + "target": "MESH:D009765" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D020372", + "label": "Drug", + "name": "dexfenfluramine" + }, + { + "id": "UniProt:P28335", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 2C" + }, + { + "id": "reactome:R-HSA-416476", + "label": "Pathway", + "name": "G alpha (q) signalling events" + }, + { + "id": "GO:0007631", + "label": "BiologicalProcess", + "name": "feeding behavior" + }, + { + "id": "GO:0032098", + "label": "BiologicalProcess", + "name": "regulation of appetite" + }, + { + "id": "MESH:D009765", + "label": "Disease", + "name": "Obesity" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01191#mechanism-of-action", + "https://en.wikipedia.org/wiki/5-HT2C_receptor_agonist#Obesity", + "https://en.wikipedia.org/wiki/5-HT2C_receptor_agonist#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01009_MESH_D001172_1", + "disease": "Rheumatoid arthritis", + "disease_mesh": "MESH:D001172", + "drug": "ketoprofen", + "drug_mesh": "MESH:D007660", + "drugbank": "DB:DB01009" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D007660", + "target": "UniProt:P23219" + }, + { + "key": "negatively regulates", + "source": "MESH:D007660", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "MESH:D011453" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0005059" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MESH:D001172" + }, + { + "key": "positively correlated with", + "source": "HP:0005059", + "target": "MESH:D001172" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007660", + "label": "Drug", + "name": "ketoprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0005059", + "label": "PhenotypicFeature", + "name": "Arthralgia/arthritis" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "MESH:D001172", + "label": "Disease", + "name": "Rheumatoid arthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01009#mechanism-of-action", + "https://en.wikipedia.org/wiki/Ketoprofen#Mechanism", + "https://en.wikipedia.org/wiki/Rheumatoid_arthritis#Anti-inflammatory_and_analgesic_agents" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01009_MESH_D001172_2", + "disease": "Rheumatoid arthritis", + "disease_mesh": "MESH:D001172", + "drug": "ketoprofen", + "drug_mesh": "MESH:D007660", + "drugbank": "DB:DB01009" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D007660", + "target": "UniProt:P25024" + }, + { + "key": "positively regulates", + "source": "UniProt:P25024", + "target": "GO:0030593" + }, + { + "key": "positively regulates", + "source": "UniProt:P25024", + "target": "GO:0002407" + }, + { + "key": "positively correlated with", + "source": "GO:0030593", + "target": "HP:0005059" + }, + { + "key": "positively correlated with", + "source": "GO:0030593", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "GO:0002407", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MESH:D001172" + }, + { + "key": "positively correlated with", + "source": "HP:0005059", + "target": "MESH:D001172" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MESH:D001172" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007660", + "label": "Drug", + "name": "ketoprofen" + }, + { + "id": "UniProt:P25024", + "label": "Protein", + "name": "C-X-C chemokine receptor type 1" + }, + { + "id": "GO:0030593", + "label": "BiologicalProcess", + "name": "neutrophil chemotaxis" + }, + { + "id": "GO:0002407", + "label": "BiologicalProcess", + "name": "dendritic cell chemotaxis" + }, + { + "id": "HP:0005059", + "label": "PhenotypicFeature", + "name": "Arthralgia/arthritis" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D001172", + "label": "Disease", + "name": "Rheumatoid arthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01009#BE0003552", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4943798/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01009_MESH_D010146_1", + "disease": "Pain", + "disease_mesh": "MESH:D010146", + "drug": "ketoprofen", + "drug_mesh": "MESH:D007660", + "drugbank": "DB:DB01009" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D007660", + "target": "UniProt:P23219" + }, + { + "key": "negatively regulates", + "source": "MESH:D007660", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "MESH:D011453" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "MESH:D010146" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007660", + "label": "Drug", + "name": "ketoprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "MESH:D010146", + "label": "Disease", + "name": "Pain" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01009", + "https://en.wikipedia.org/wiki/Analgesic#COX-2_inhibitors" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01009_MESH_D004412_1", + "disease": "Dysmenorrhea", + "disease_mesh": "MESH:D004412", + "drug": "ketoprofen", + "drug_mesh": "MESH:D007660", + "drugbank": "DB:DB01009" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D007660", + "target": "UniProt:P23219" + }, + { + "key": "negatively regulates", + "source": "MESH:D007660", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "MESH:D011453" + }, + { + "key": "positively regulates", + "source": "MESH:D011453", + "target": "GO:0070471" + }, + { + "key": "positively correlated with", + "source": "GO:0070471", + "target": "MESH:D004412" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007660", + "label": "Drug", + "name": "ketoprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "GO:0070471", + "label": "BiologicalProcess", + "name": "uterine smooth muscle contraction" + }, + { + "id": "MESH:D004412", + "label": "Disease", + "name": "Dysmenorrhea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01009", + "https://www.aafp.org/afp/1999/0801/p489.html" + ] + }, + { + "comment": "In contrast to rheumatoid arthritis, in osteoarthritis the joints do not become hot or red. (https://en.wikipedia.org/wiki/Osteoarthritis#cite_note-NIH2015-1)", + "directed": true, + "graph": { + "_id": "DB01009_MESH_D010003_1", + "disease": "Osteoarthritis", + "disease_mesh": "MESH:D010003", + "drug": "ketoprofen", + "drug_mesh": "MESH:D007660", + "drugbank": "DB:DB01009" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D007660", + "target": "UniProt:P23219" + }, + { + "key": "negatively regulates", + "source": "MESH:D007660", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "MESH:D011453" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0002829" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MESH:D010003" + }, + { + "key": "positively correlated with", + "source": "HP:0002829", + "target": "MESH:D010003" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007660", + "label": "Drug", + "name": "ketoprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0002829", + "label": "PhenotypicFeature", + "name": "Arthralgia" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "MESH:D010003", + "label": "Disease", + "name": "Osteoarthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01009" + ] + }, + { + "comment": "Other commonly used names for this drug are inositol nicotinate (CHEBI:50134), myo-inositol hexanicotinate (CHEBI:31699) and inositol hexanicotinate (CHEBI:33064)(https://en.wikipedia.org/wiki/Inositol_nicotinate). This drug is made of niacin (vitamin B3, MESH:D009525) and inositol (MESH:D007294. Note the original drug to curate for this disease was inositol but there is no evidence for it to be used as treatment unless it's bound to nicotinic acid to form inositol hexanicotinate.", + "directed": true, + "graph": { + "_id": "DB08949_MESH_D010383_1", + "disease": "Pellagra", + "disease_mesh": "MESH:D010383", + "drug": "Inositol Niacinate", + "drug_mesh": "MESH:C005193", + "drugbank": "DB:DB08949" + }, + "links": [ + { + "key": "increases abundance of", + "source": "MESH:C005193", + "target": "CHEBI:15940" + }, + { + "key": "increases abundance of", + "source": "CHEBI:15940", + "target": "CHEBI:17154" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:17154", + "target": "HP:0100497" + }, + { + "key": "positively correlated with", + "source": "HP:0100497", + "target": "MESH:D010383" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005193", + "label": "Drug", + "name": "Inositol Niacinate" + }, + { + "id": "CHEBI:15940", + "label": "ChemicalSubstance", + "name": "nicotinic acid" + }, + { + "id": "CHEBI:17154", + "label": "ChemicalSubstance", + "name": "nicotinamide" + }, + { + "id": "HP:0100497", + "label": "PhenotypicFeature", + "name": "Vitamin B3 deficiency" + }, + { + "id": "MESH:D010383", + "label": "Disease", + "name": "Pellagra" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08949#mechanism-of-action", + "https://pubchem.ncbi.nlm.nih.gov/compound/3720#section=Drug-and-Medication-Information", + "https://en.wikipedia.org/wiki/Pellagra#Treatment", + "https://en.wikipedia.org/wiki/Nicotinamide", + "https://en.wikipedia.org/wiki/Nicotinamide#Niacin_deficiency", + "https://onlinelibrary.wiley.com/doi/epdf/10.1002/jppr.1250" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00257_MESH_D000152_1", + "disease": "Acne vulgaris", + "disease_mesh": "MESH:D000152", + "drug": "Adapalene", + "drug_mesh": "MESH:D000068816", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D000068816", + "target": "MESH:D018168" + }, + { + "key": "negatively regulates", + "source": "MESH:D018168", + "target": "GO:0031424" + }, + { + "key": "increases abundance of", + "source": "GO:0031424", + "target": "HP:0025249" + }, + { + "key": "positively correlated with", + "source": "HP:0025249", + "target": "MESH:D000152" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068816", + "label": "Drug", + "name": "Adapalene" + }, + { + "id": "MESH:D018168", + "label": "GeneFamily", + "name": "Receptors, Retinoic Acid" + }, + { + "id": "GO:0031424", + "label": "BiologicalProcess", + "name": "keratinization" + }, + { + "id": "HP:0025249", + "label": "PhenotypicFeature", + "name": "Comedo" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00210#mechanism-of-action", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2374937/", + "https://en.wikipedia.org/wiki/Adapalene#Pharmacodynamics", + "https://pubmed.ncbi.nlm.nih.gov/19929446/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00257_MESH_D000152_2", + "disease": "Acne vulgaris", + "disease_mesh": "MESH:D000152", + "drug": "Adapalene", + "drug_mesh": "MESH:D000068816", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000068816", + "target": "UniProt:O60603" + }, + { + "key": "positively regulates", + "source": "UniProt:O60603", + "target": "UniProt:P05412" + }, + { + "key": "positively correlated with", + "source": "UniProt:P05412", + "target": "GO:0006954" + }, + { + "key": "caused by", + "source": "GO:0006954", + "target": "taxonomy:1747" + }, + { + "key": "positively correlated with", + "source": "taxonomy:1747", + "target": "MESH:D000152" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068816", + "label": "Drug", + "name": "Adapalene" + }, + { + "id": "UniProt:O60603", + "label": "Protein", + "name": "Toll-like receptor 2" + }, + { + "id": "UniProt:P05412", + "label": "Protein", + "name": "Transcription factor AP-1" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "taxonomy:1747", + "label": "OrganismTaxon", + "name": "Cutibacterium acnes" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00210#mechanism-of-action", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2374937/", + "https://en.wikipedia.org/wiki/Adapalene#Pharmacodynamics", + "https://pubmed.ncbi.nlm.nih.gov/19929446/" + ] + }, + { + "comment": "Tegafur has the active antineoplastic metabolite, 5-fluorouracil (5-FU). The 5-FU is then converted into 5-fluoro-deoxyuridine-monophosphate and 5-fluorouridine-triphosphate in the cell.", + "directed": true, + "graph": { + "_id": "DB09256_MESH_D013274_1", + "disease": "Stomach Neoplasms", + "disease_mesh": "MESH:D013274", + "drug": "Tegafur", + "drug_mesh": "MESH:D005641", + "drugbank": "DB:DB09256" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D005641", + "target": "MESH:D005472" + }, + { + "key": "has active ingredient", + "source": "MESH:D005472", + "target": "MESH:D005468" + }, + { + "key": "has active ingredient", + "source": "MESH:D005472", + "target": "MESH:C025635" + }, + { + "key": "decreases activity of", + "source": "MESH:D005468", + "target": "UniProt:P04818" + }, + { + "key": "positively regulates", + "source": "UniProt:P04818", + "target": "GO:0071897" + }, + { + "key": "occurs in", + "source": "GO:0071897", + "target": "CL:0001063" + }, + { + "key": "disrupts", + "source": "MESH:C025635", + "target": "GO:0032774" + }, + { + "key": "occurs in", + "source": "GO:0032774", + "target": "CL:0001063" + }, + { + "key": "contributes to", + "source": "CL:0001063", + "target": "MESH:D013274" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005641", + "label": "Drug", + "name": "Tegafur" + }, + { + "id": "MESH:D005472", + "label": "ChemicalSubstance", + "name": "Fluorouracil" + }, + { + "id": "MESH:D005468", + "label": "ChemicalSubstance", + "name": "Fluorodeoxyuridylate" + }, + { + "id": "MESH:C025635", + "label": "ChemicalSubstance", + "name": "5-fluorouridine 5'-triphosphate" + }, + { + "id": "UniProt:P04818", + "label": "Protein", + "name": "Thymidylate synthase" + }, + { + "id": "GO:0071897", + "label": "BiologicalProcess", + "name": "DNA biosynthetic process" + }, + { + "id": "GO:0032774", + "label": "BiologicalProcess", + "name": "RNA biosynthetic process" + }, + { + "id": "CL:0001063", + "label": "Cell", + "name": "neoplastic cell" + }, + { + "id": "MESH:D013274", + "label": "Disease", + "name": "Stomach Neoplasms" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09256#mechanism-of-action", + "https://drugs.ncats.io/substances?q=%22TEGAFUR%22", + "https://www.uniprot.org/uniprot/P04818#function", + "https://en.wikipedia.org/wiki/Stomach_cancer" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01267_MESH_D012559_1", + "disease": "Schizophrenia", + "disease_mesh": "MESH:D012559", + "drug": "Paliperidone Palmitate", + "drug_mesh": "MESH:D000068882", + "drugbank": "DB:DB01267" + }, + "links": [ + { + "key": "is metabolite of", + "source": "MESH:D000068882", + "target": "MESH:D018967" + }, + { + "key": "decreases activity of", + "source": "MESH:D018967", + "target": "UniProt:P28223" + }, + { + "key": "decreases activity of", + "source": "MESH:D018967", + "target": "UniProt:P14416" + }, + { + "key": "participates in", + "source": "UniProt:P28223", + "target": "GO:1904014" + }, + { + "key": "participates in", + "source": "UniProt:P14416", + "target": "GO:1903350" + }, + { + "key": "correlated with", + "source": "GO:1903350", + "target": "HP:0000738" + }, + { + "key": "correlated with", + "source": "GO:1904014", + "target": "MESH:D012559" + }, + { + "key": "manifestation of", + "source": "HP:0000738", + "target": "MESH:D012559" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068882", + "label": "Drug", + "name": "Paliperidone Palmitate" + }, + { + "id": "MESH:D018967", + "label": "ChemicalSubstance", + "name": "Risperidone" + }, + { + "id": "UniProt:P28223", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 2A" + }, + { + "id": "UniProt:P14416", + "label": "Protein", + "name": "D(2) dopamine receptor" + }, + { + "id": "GO:1904014", + "label": "BiologicalProcess", + "name": "response to serotonin" + }, + { + "id": "GO:1903350", + "label": "BiologicalProcess", + "name": "response to dopamine" + }, + { + "id": "HP:0000738", + "label": "PhenotypicFeature", + "name": "Hallucinations" + }, + { + "id": "MESH:D012559", + "label": "Disease", + "name": "Schizophrenia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01267#mechanism-of-action", + "https://en.wikipedia.org/wiki/Paliperidone#Pharmacology", + "https://www.uniprot.org/uniprot/P28223#function", + "https://www.uniprot.org/uniprot/P14416#function", + "https://en.wikipedia.org/wiki/Schizophrenia" + ] + }, + { + "comment": "The drug, tandospirone is under investigational.", + "directed": true, + "graph": { + "_id": "DB12833_MESH_D002012_1", + "disease": "Bruxism", + "disease_mesh": "MESH:D002012", + "drug": "tandospirone", + "drug_mesh": "MESH:C055267", + "drugbank": "DB:DB12833" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C055267", + "target": "UniProt:P08908" + }, + { + "key": "correlated with", + "source": "UniProt:P08908", + "target": "MESH:D012701" + }, + { + "key": "negatively correlated with", + "source": "MESH:D012701", + "target": "HP:0000739" + }, + { + "key": "positively correlated with", + "source": "HP:0000739", + "target": "MESH:D002012" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C055267", + "label": "Drug", + "name": "tandospirone" + }, + { + "id": "UniProt:P08908", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 1A" + }, + { + "id": "MESH:D012701", + "label": "ChemicalSubstance", + "name": "Serotonin" + }, + { + "id": "HP:0000739", + "label": "PhenotypicFeature", + "name": "Anxiety" + }, + { + "id": "MESH:D002012", + "label": "Disease", + "name": "Bruxism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB12833#mechanism-of-action", + "https://drugs.ncats.io/substances?q=%22TANDOSPIRONE%22", + "https://en.wikipedia.org/wiki/Tandospirone#Anxiety_and_depression", + "https://www.uniprot.org/uniprot/P08908#function", + "https://en.wikipedia.org/wiki/Bruxism" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09079_MESH_D002289_1", + "disease": "Carcinoma, Non-Small-Cell Lung", + "disease_mesh": "MESH:D002289", + "drug": "nintedanib", + "drug_mesh": "MESH:C530716", + "drugbank": "DB:DB09079" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C530716", + "target": "UniProt:P35236" + }, + { + "key": "decreases activity of", + "source": "MESH:C530716", + "target": "UniProt:P17948" + }, + { + "key": "decreases activity of", + "source": "MESH:C530716", + "target": "UniProt:P35968" + }, + { + "key": "decreases activity of", + "source": "MESH:C530716", + "target": "UniProt:P35916" + }, + { + "key": "decreases activity of", + "source": "MESH:C530716", + "target": "InterPro:IPR006782" + }, + { + "key": "decreases activity of", + "source": "MESH:C530716", + "target": "InterPro:IPR016248" + }, + { + "key": "participates in", + "source": "UniProt:P35236", + "target": "reactome:R-HSA-162582" + }, + { + "key": "participates in", + "source": "UniProt:P17948", + "target": "reactome:R-HSA-5218921" + }, + { + "key": "participates in", + "source": "UniProt:P35968", + 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between thiamin and cobalamin deficiency", + "directed": true, + "graph": { + "_id": "DB00152_MESH_D014806_1", + "disease": "Cobalamin deficiency", + "disease_mesh": "MESH:D014806", + "drug": "Thiamine", + "drug_mesh": "MESH:D013831", + "drugbank": "DB:DB00152" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D013831", + "target": "MESH:D014806" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013831", + "label": "Drug", + "name": "Thiamine" + }, + { + "id": "MESH:D014806", + "label": "Disease", + "name": "Cobalamin deficiency" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00152", + "https://drugcentral.org/drugcard/2832?q=thiamine" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00152_MESH_D020915_1", + "disease": "Korsakoff Syndrome", + "disease_mesh": "MESH:D020915", + "drug": "Thiamine", + "drug_mesh": "MESH:D013831", + "drugbank": "DB:DB00152" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D013831", + 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Differential diagnosis for pernicious anemia includes thiamine-responsive megaloblastic anemia syndrome which is treated high doses of thiamine", + "directed": true, + "graph": { + "_id": "DB00152_MESH_D000752_1", + "disease": "Pernicious anemia", + "disease_mesh": "MESH:D000752", + "drug": "Thiamine", + "drug_mesh": "MESH:D013831", + "drugbank": "DB:DB00152" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D013831", + "target": "MESH:D000752" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013831", + "label": "Drug", + "name": "Thiamine" + }, + { + "id": "MESH:D000752", + "label": "Disease", + "name": "Pernicious anemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00152", + "https://drugcentral.org/drugcard/2832?q=thiamine" + ] + }, + { + "comment": "Midodrine is a prodrug, i.e., the therapeutic effect of orally administered midodrine is due to the major metabolite desglymidodrine", + "directed": true, + "graph": { + "_id": 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Heme is bound to iron whereas hemin is the hydroxide counterpart of heme. Both are cytotoxic. 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Heme is bound to iron whereas hemin is the hydroxide counterpart of heme. Both are cytotoxic. Hemin is also known as hematin.", + "directed": true, + "graph": { + "_id": "DB12975_MESH_D016780_2", + "disease": "Malaria, Vivax", + "disease_mesh": "MESH:D016780", + "drug": "Pyronaridine", + "drug_mesh": "MESH:C027871", + "drugbank": "DB:DB12975" + }, + "links": [ + { + "key": "molecularly interacts with", + "source": "MESH:C027871", + "target": "MESH:D006427" + }, + { + "key": "disrupts", + "source": "MESH:D006427", + "target": "CL:0000232" + }, + { + "key": "location of", + "source": "CL:0000232", + "target": "GO:0019954" + }, + { + "key": "in taxon", + "source": "GO:0019954", + "target": "taxonomy:5855" + }, + { + "key": "causes", + "source": "taxonomy:5855", + "target": "MESH:D016780" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C027871", + "label": "Drug", + "name": "Pyronaridine" + }, + { + "id": "MESH:D006427", + "label": "ChemicalSubstance", + "name": "Hemin" + }, + { + "id": "CL:0000232", + "label": "Cell", + "name": "erythrocyte" + }, + { + "id": "GO:0019954", + "label": "BiologicalProcess", + "name": "asexual reproduction" + }, + { + "id": "taxonomy:5855", + "label": "OrganismTaxon", + "name": "Plasmodium vivax" + }, + { + "id": "MESH:D016780", + "label": "Disease", + "name": "Malaria, Vivax" + } + ], + "reference": [ + "https://www.ema.europa.eu/en/documents/medicine-outside-eu/pyramax-product-information_en.pdf" + ] + }, + { + "comment": "Heme (MESH:D006418) and hemin (MESH:D006427) are related substances resulting from the parasite hemoglobin catabolism. Heme is bound to iron whereas hemin is the hydroxide counterpart of heme. Both are cytotoxic. Hemin is also known as hematin.", + "directed": true, + "graph": { + "_id": "DB12975_MESH_D016778_1", + "disease": "Malaria, Falciparum", + "disease_mesh": "MESH:D016778", + "drug": "Pyronaridine", + "drug_mesh": "MESH:C027871", + "drugbank": "DB:DB12975" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C027871", + "target": "GO:0042540" + }, + { + "key": "increases abundance of", + "source": "GO:0042540", + "target": "MESH:D006418" + }, + { + "key": "disrupts", + "source": "MESH:D006418", + "target": "taxonomy:5833" + }, + { + "key": "causes", + "source": "taxonomy:5833", + "target": "MESH:D016778" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C027871", + "label": "Drug", + "name": "Pyronaridine" + }, + { + "id": "GO:0042540", + "label": "BiologicalProcess", + "name": "hemoglobin catabolic process" + }, + { + "id": "MESH:D006418", + "label": "ChemicalSubstance", + "name": "Heme" + }, + { + "id": "taxonomy:5833", + "label": "OrganismTaxon", + "name": "Plasmodium falciparum" + }, + { + "id": "MESH:D016778", + "label": "Disease", + "name": "Malaria, Falciparum" + } + ], + "reference": [ + "https://www.ema.europa.eu/en/documents/medicine-outside-eu/pyramax-product-information_en.pdf", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3483207/" + ] + }, + { + "comment": "Hemin (MESH:D006427) and heme (MESH:D006418) are related substances resulting from the parasite hemoglobin catabolism. Heme is bound to iron whereas hemin is the hydroxide counterpart of heme. Both are cytotoxic. Hemin is also known as hematin.", + "directed": true, + "graph": { + "_id": "DB12975_MESH_D016778_2", + "disease": "Malaria, Falciparum", + "disease_mesh": "MESH:D016778", + "drug": "Pyronaridine", + "drug_mesh": "MESH:C027871", + "drugbank": "DB:DB12975" + }, + "links": [ + { + "key": "molecularly interacts with", + "source": "MESH:C027871", + "target": "MESH:D006427" + }, + { + "key": "disrupts", + "source": "MESH:D006427", + "target": "CL:0000232" + }, + { + "key": "location of", + "source": "CL:0000232", + "target": "GO:0019954" + }, + { + "key": "in taxon", + "source": "GO:0019954", + "target": "taxonomy:5833" + }, + { + "key": "causes", + "source": "taxonomy:5833", + "target": "MESH:D016778" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C027871", + "label": "Drug", + "name": "Pyronaridine" + }, + { + "id": "MESH:D006427", + "label": "ChemicalSubstance", + "name": "Hemin" + }, + { + "id": "CL:0000232", + "label": "Cell", + "name": "erythrocyte" + }, + { + "id": "GO:0019954", + "label": "BiologicalProcess", + "name": "asexual reproduction" + }, + { + "id": "taxonomy:5833", + "label": "OrganismTaxon", + "name": "Plasmodium falciparum" + }, + { + "id": "MESH:D016778", + "label": "Disease", + "name": "Malaria, Falciparum" + } + ], + "reference": [ + "https://www.ema.europa.eu/en/documents/medicine-outside-eu/pyramax-product-information_en.pdf" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00257_MESH_D012628_1", + "disease": "Seborrheic dermatitis", + "disease_mesh": "MESH:D012628", + "drug": "sulfur", + "drug_mesh": "MESH:D013455", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "precedes", + "source": "MESH:D013455", + "target": "CHEBI:16136" + }, + { + "key": "subclass of", + "source": "CHEBI:16136", + "target": "MESH:D007641" + }, + { + "key": "subclass of", + "source": "CHEBI:16136", + "target": "MESH:D000935" + }, + { + "key": "disrupts", + "source": "MESH:D000935", + "target": "taxonomy:55193" + }, + { + "key": "causes", + "source": "taxonomy:55193", + "target": "MESH:D012628" + }, + { + "key": "negatively correlated with", + "source": "MESH:D007641", + "target": "MESH:D012628" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013455", + "label": "Drug", + "name": "sulfur" + }, + { + "id": "CHEBI:16136", + "label": "ChemicalSubstance", + "name": "hydrogen sulfide" + }, + { + "id": "MESH:D000935", + "label": "Drug", + "name": "Antifungal Agents" + }, + { + "id": "MESH:D007641", + "label": "Drug", + "name": "Keratolytic Agents" + }, + { + "id": "taxonomy:55193", + "label": "OrganismTaxon", + "name": "Malassezia" + }, + { + "id": "MESH:D012628", + "label": "Disease", + "name": "Seborrheic dermatitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09353#mechanism-of-action", + "https://en.wikipedia.org/wiki/Seborrhoeic_dermatitis#Causes" + ] + }, + { + "comment": "The disease is denoted as Acute necrotizing ulcerative gingivitis in the original file but the name used for the path is the one seen in the MESH website.", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D005892_1", + "disease": "Gingivitis, Necrotizing Ulcerative", + "disease_mesh": "MESH:D005892", + "drug": "sulfur", + "drug_mesh": "MESH:D013455", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "precedes", + "source": "MESH:D013455", + "target": "CHEBI:16136" + }, + { + "key": "subclass of", + "source": "CHEBI:16136", + "target": "MESH:D000900" + }, + { + "key": "disrupts", + "source": "MESH:D000900", + "target": "taxonomy:28131" + }, + { + "key": "disrupts", + "source": "MESH:D000900", + "target": "taxonomy:848" + }, + { + "key": "disrupts", + "source": "MESH:D000900", + "target": "taxonomy:157" + }, + { + "key": "causes", + "source": "taxonomy:157", + "target": "MESH:D005892" + }, + { + "key": "causes", + "source": "taxonomy:848", + "target": "MESH:D005892" + }, + { + "key": "causes", + "source": "taxonomy:28131", + "target": "MESH:D005892" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013455", + "label": "Drug", + "name": "sulfur" + }, + { + "id": "CHEBI:16136", + "label": "ChemicalSubstance", + "name": "hydrogen sulfide" + }, + { + "id": "MESH:D000900", + "label": "Drug", + "name": "Anti-Bacterial Agents" + }, + { + "id": "taxonomy:157", + "label": "OrganismTaxon", + "name": "Treponema" + }, + { + "id": "taxonomy:848", + "label": "OrganismTaxon", + "name": "Fusobacterium" + }, + { + "id": "taxonomy:28131", + "label": "OrganismTaxon", + "name": "Prevotella intermedia" + }, + { + "id": "MESH:D005892", + "label": "Disease", + "name": "Gingivitis, Necrotizing Ulcerative" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09353#mechanism-of-action", + "https://en.wikipedia.org/wiki/Acute_necrotizing_ulcerative_gingivitis#Causes" + ] + }, + { + "comment": "Sulfur's usefulness as a topical remedy for acne dates back to at least the reign of Cleopatra i.e. 69\u201330 BCE (https://en.wikipedia.org/wiki/Acne#History).", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D000152_3", + "disease": "Acne vulgaris", + "disease_mesh": "MESH:D000152", + "drug": "sulfur", + "drug_mesh": "MESH:D013455", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "precedes", + "source": "MESH:D013455", + "target": "CHEBI:16136" + }, + { + "key": "subclass of", + "source": "CHEBI:16136", + "target": "MESH:D007641" + }, + { + "key": "subclass of", + "source": "CHEBI:16136", + "target": "MESH:D000900" + }, + { + "key": "disrupts", + "source": "MESH:D000900", + "target": "taxonomy:1747" + }, + { + "key": "decreases abundance of", + "source": "MESH:D007641", + "target": "HP:0025249" + }, + { + "key": "causes", + "source": "taxonomy:1747", + "target": "MESH:D000152" + }, + { + "key": "positively correlated with", + "source": "HP:0025249", + "target": "MESH:D000152" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013455", + "label": "Drug", + "name": "sulfur" + }, + { + "id": "CHEBI:16136", + "label": "ChemicalSubstance", + "name": "hydrogen sulfide" + }, + { + "id": "MESH:D000900", + "label": "Drug", + "name": "Anti-Bacterial Agents" + }, + { + "id": "MESH:D007641", + "label": "Drug", + "name": "Keratolytic Agents" + }, + { + "id": "HP:0025249", + "label": "PhenotypicFeature", + "name": "Comedo" + }, + { + "id": "taxonomy:1747", + "label": "OrganismTaxon", + "name": "Cutibacterium acnes" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09353#mechanism-of-action" + ] + }, + { + "comment": "The disease is denoted as Aphthous ulcer of mouth in the original file but the name used for the path is the one seen in the MESH website. The causes for this disease are not well known (https://ada.com/conditions/aphthous-ulcers/#causes). It's important to prevent secondary infection of the ulcers (https://en.wikipedia.org/wiki/Aphthous_stomatitis#Medication); that's when anti-bacterial agents can be administered.", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D013281_1", + "disease": "Stomatitis, Aphthous", + "disease_mesh": "MESH:D013281", + "drug": "sulfur", + "drug_mesh": "MESH:D013455", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "precedes", + "source": "MESH:D013455", + "target": "CHEBI:16136" + }, + { + "key": "subclass of", + "source": "CHEBI:16136", + "target": "MESH:D000900" + }, + { + "key": "disrupts", + "source": "MESH:D000900", + "target": "taxonomy:210" + }, + { + "key": "causes", + "source": "taxonomy:210", + "target": "MESH:D013281" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013455", + "label": "Drug", + "name": "sulfur" + }, + { + "id": "CHEBI:16136", + "label": "ChemicalSubstance", + "name": "hydrogen sulfide" + }, + { + "id": "MESH:D000900", + "label": "Drug", + "name": "Anti-Bacterial Agents" + }, + { + "id": "taxonomy:210", + "label": "OrganismTaxon", + "name": "Helicobacter pylori" + }, + { + "id": "MESH:D013281", + "label": "Disease", + "name": "Stomatitis, Aphthous" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09353#mechanism-of-action", + "https://ada.com/conditions/aphthous-ulcers/#causes", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4441245/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4002348/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3227248/", + "https://www.mayoclinic.org/diseases-conditions/canker-sore/symptoms-causes/syc-20370615" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01416_MESH_D011018_1", + "disease": "Pneumococcal pneumonia", + "disease_mesh": "MESH:D011018", + "drug": "cefpodoxime proxetil", + "drug_mesh": "MESH:C053267", + "drugbank": "DB:DB01416" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR012338" + }, + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR037532" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR012338", + "target": "GO:0009252" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR037532", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0071555" + }, + { + "key": "in taxon", + "source": "GO:0071555", + "target": "taxonomy:1313" + }, + { + "key": "causes", + "source": "taxonomy:1313", + "target": "MESH:D011018" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C053268" + ], + "id": "MESH:C053267", + "label": "Drug", + "name": "cefpodoxime proxetil" + }, + { + "id": "InterPro:IPR012338", + "label": "GeneFamily", + "name": "Beta-lactamase/transpeptidase-like" + }, + { + "id": "InterPro:IPR037532", + "label": "GeneFamily", + "name": "Peptidoglycan D,D-transpeptidase FtsI" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0071555", + "label": "BiologicalProcess", + "name": "cell wall organization" + }, + { + "id": "taxonomy:1313", + "label": "OrganismTaxon", + "name": "Streptococcus pneumoniae" + }, + { + "id": "MESH:D011018", + "label": "Disease", + "name": "Pneumococcal pneumonia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01416#mechanism-of-action", + "https://en.wikipedia.org/wiki/Cefpodoxime" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01416_MESH_D018410_1", + "disease": "Bacterial pneumonia", + "disease_mesh": "MESH:D018410", + "drug": "cefpodoxime proxetil", + "drug_mesh": "MESH:C053267", + "drugbank": "DB:DB01416" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR012338" + }, + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR037532" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR012338", + "target": "GO:0009252" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR037532", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0071555" + }, + { + "key": "in taxon", + "source": "GO:0071555", + "target": "taxonomy:1392" + }, + { + "key": "in taxon", + "source": "GO:0071555", + "target": "taxonomy:1280" + }, + { + "key": "causes", + "source": "taxonomy:1392", + "target": "MESH:D018410" + }, + { + "key": "causes", + "source": "taxonomy:1280", + "target": "MESH:D018410" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C053268" + ], + "id": "MESH:C053267", + "label": "Drug", + "name": "cefpodoxime proxetil" + }, + { + "id": "InterPro:IPR012338", + "label": "GeneFamily", + "name": "Beta-lactamase/transpeptidase-like" + }, + { + "id": "InterPro:IPR037532", + "label": "GeneFamily", + "name": "Peptidoglycan D,D-transpeptidase FtsI" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0071555", + "label": "BiologicalProcess", + "name": "cell wall organization" + }, + { + "id": "taxonomy:1392", + "label": "OrganismTaxon", + "name": "Bacillus anthracis" + }, + { + "id": "taxonomy:1280", + "label": "OrganismTaxon", + "name": "Staphylococcus aureus" + }, + { + "id": "MESH:D018410", + "label": "Disease", + "name": "Bacterial pneumonia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01416#mechanism-of-action", + "https://en.wikipedia.org/wiki/Cefpodoxime", + "https://en.wikipedia.org/wiki/Bacterial_pneumonia#Types" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01416_MESH_D014069_1", + "disease": "Tonsillitis", + "disease_mesh": "MESH:D014069", + "drug": "cefpodoxime proxetil", + "drug_mesh": "MESH:C053267", + "drugbank": "DB:DB01416" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": 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"GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0071555", + "label": "BiologicalProcess", + "name": "cell wall organization" + }, + { + "id": "taxonomy:1314", + "label": "OrganismTaxon", + "name": "Streptococcus pyogenes" + }, + { + "id": "MESH:D014069", + "label": "Disease", + "name": "Tonsillitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01416#mechanism-of-action", + "https://en.wikipedia.org/wiki/Cefpodoxime", + "https://en.wikipedia.org/wiki/Tonsillitis#Causes" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01416_MESH_D010612_1", + "disease": "Pharyngitis", + "disease_mesh": "MESH:D010612", + "drug": "cefpodoxime proxetil", + "drug_mesh": "MESH:C053267", + "drugbank": "DB:DB01416" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR012338" + }, + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": 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organization" + }, + { + "id": "taxonomy:1280", + "label": "OrganismTaxon", + "name": "Staphylococcus aureus" + }, + { + "id": "MESH:D013203", + "label": "Disease", + "name": "Infection due to Staphylococcus aureus" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01416#mechanism-of-action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01416_MESH_D006069_1", + "disease": "Gonorrhea", + "disease_mesh": "MESH:D006069", + "drug": "cefpodoxime proxetil", + "drug_mesh": "MESH:C053267", + "drugbank": "DB:DB01416" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR012338" + }, + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR037532" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR012338", + "target": "GO:0009252" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR037532", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0071555" + }, + { + "key": "in taxon", + "source": "GO:0071555", + "target": "taxonomy:485" + }, + { + "key": "causes", + "source": "taxonomy:485", + "target": "MESH:D006069" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C053268" + ], + "id": "MESH:C053267", + "label": "Drug", + "name": "cefpodoxime proxetil" + }, + { + "id": "InterPro:IPR012338", + "label": "GeneFamily", + "name": "Beta-lactamase/transpeptidase-like" + }, + { + "id": "InterPro:IPR037532", + "label": "GeneFamily", + "name": "Peptidoglycan D,D-transpeptidase FtsI" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0071555", + "label": "BiologicalProcess", + "name": "cell wall organization" + }, + { + "id": "taxonomy:485", + "label": "OrganismTaxon", + "name": "Neisseria gonorrhoeae" + }, + { + "id": "MESH:D006069", + "label": "Disease", + "name": "Gonorrhea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01416#mechanism-of-action", + "https://en.wikipedia.org/wiki/Gonorrhea#Cause" + ] + }, + { + "comment": "This disease is denoted as Streptococcus pyogenes infection in the original file but it's named Streptococcal Infections by MESH.", + "directed": true, + "graph": { + "_id": "DB01416_MESH_D013290_1", + "disease": "Streptococcal Infections", + "disease_mesh": "MESH:D013290", + "drug": "cefpodoxime proxetil", + "drug_mesh": "MESH:C053267", + "drugbank": "DB:DB01416" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR012338" + }, + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR037532" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR012338", + "target": "GO:0009252" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR037532", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0071555" + }, + { + "key": "in taxon", + "source": "GO:0071555", + "target": "taxonomy:1301" + }, + { + "key": "causes", + "source": "taxonomy:1301", + "target": "MESH:D013290" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C053268" + ], + "id": "MESH:C053267", + "label": "Drug", + "name": "cefpodoxime proxetil" + }, + { + "id": "InterPro:IPR012338", + "label": "GeneFamily", + "name": "Beta-lactamase/transpeptidase-like" + }, + { + "id": "InterPro:IPR037532", + "label": "GeneFamily", + "name": "Peptidoglycan D,D-transpeptidase FtsI" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0071555", + "label": "BiologicalProcess", + "name": "cell wall organization" + }, + { + "id": "taxonomy:1301", + "label": "OrganismTaxon", + "name": "Streptococcus" + }, + { + "id": "MESH:D013290", + "label": "Disease", + "name": "Streptococcal Infections" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01416#mechanism-of-action" + ] + }, + { + "comment": "The disease is denoted Menopausal flushing in the original file but Hot flashes in MESH. The etiology of hot flashes has yet to be determined (https://pubmed.ncbi.nlm.nih.gov/15065632/).", + "directed": true, + "graph": { + "_id": "DB06710_MESH_D019584_1", + "disease": "Menopausal Flushing", + "disease_mesh": "MESH:D019584", + "drug": "methyltestosterone", + "drug_mesh": "MESH:D008777", + "drugbank": "DB:DB06710" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D008777", + "target": "UniProt:P10275" + }, + { + "key": "precedes", + "source": "MESH:D008777", + "target": "CHEBI:34179" + }, + { + "key": "increases activity of", + "source": "CHEBI:34179", + "target": "UniProt:P03372" + }, + { + "key": "positively regulates", + "source": "UniProt:P03372", + "target": "GO:0006874" + }, + { + "key": "correlated with", + "source": "UniProt:P10275", + "target": "GO:0097746" + }, + { + "key": "correlated with", + "source": "GO:0097746", + "target": "MESH:D014666" + }, + { + "key": "regulates", + "source": "GO:0006874", + "target": "MESH:D014666" + }, + { + "key": "positively regulates", + "source": "MESH:D014666", + "target": "GO:0001659" + }, + { + "key": "negatively correlated with", + "source": "GO:0001659", + "target": "HP:0005968" + }, + { + "key": "positively correlated with", + "source": "HP:0005968", + "target": "MESH:D019584" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008777", + "label": "Drug", + "name": "methyltestosterone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "CHEBI:34179", + "label": "Drug", + "name": "17alpha-Methylestradiol" + }, + { + "id": "UniProt:P03372", + "label": "Protein", + "name": "Estrogen receptor" + }, + { + "id": "MESH:D014666", + "label": "GrossAnatomicalStructure", + "name": "Vasomotor System" + }, + { + "id": "GO:0097746", + "label": "BiologicalProcess", + "name": "blood vessel diameter maintenance" + }, + { + "id": "GO:0006874", + "label": "BiologicalProcess", + "name": "cellular calcium ion homeostasis" + }, + { + "id": "GO:0001659", + "label": "BiologicalProcess", + "name": "temperature homeostasis" + }, + { + "id": "HP:0005968", + "label": "PhenotypicFeature", + "name": "Temperature instability" + }, + { + "id": "MESH:D019584", + "label": "Disease", + "name": "Menopausal Flushing" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06710#mechanism-of-action", + "https://en.wikipedia.org/wiki/Methyltestosterone#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Methylestradiol#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Hot_flash#Mechanism", + "https://academic.oup.com/jcem/article/100/11/3975/2836060" + ] + }, + { + "comment": "MESH:D005058 is named male hypogonadism in the original file.", + "directed": true, + "graph": { + "_id": "DB06710_MESH_D005058_1", + "disease": "Eunuchism", + "disease_mesh": "MESH:D005058", + "drug": "methyltestosterone", + "drug_mesh": "MESH:D008777", + "drugbank": "DB:DB06710" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D008777", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0060742" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0048808" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0008584" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0019102" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0007283" + }, + { + "key": "positively correlated with", + "source": "GO:0060742", + "target": "CHEBI:17347" + }, + { + "key": "positively correlated with", + "source": "GO:0048808", + "target": "CHEBI:17347" + }, + { + "key": "positively correlated with", + "source": "GO:0008584", + "target": "CHEBI:17347" + }, + { + "key": "positively correlated with", + "source": "GO:0019102", + "target": "CHEBI:17347" + }, + { + "key": "positively correlated with", + "source": "GO:0007283", + "target": "CHEBI:17347" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:17347", + "target": "MESH:D005058" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008777", + "label": "Drug", + "name": "methyltestosterone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0060742", + "label": "BiologicalProcess", + "name": "epithelial cell differentiation involved in prostate gland development" + }, + { + "id": "GO:0048808", + "label": "BiologicalProcess", + "name": "male genitalia morphogenesis" + }, + { + "id": "GO:0008584", + "label": "BiologicalProcess", + "name": "male gonad development" + }, + { + "id": "GO:0019102", + "label": "BiologicalProcess", + "name": "male somatic sex determination" + }, + { + "id": "GO:0007283", + "label": "BiologicalProcess", + "name": "spermatogenesis" + }, + { + "id": "CHEBI:17347", + "label": "ChemicalSubstance", + "name": "testosterone" + }, + { + "id": "MESH:D005058", + "label": "Disease", + "name": "Eunuchism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06710#mechanism-of-action", + "https://en.wikipedia.org/wiki/Hypogonadism#Treatment", + "https://en.wikipedia.org/wiki/Hypogonadism#Men" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06710_MESH_D011628_1", + "disease": "Puberty, Delayed", + "disease_mesh": "MESH:D011628", + "drug": "methyltestosterone", + "drug_mesh": "MESH:D008777", + "drugbank": "DB:DB06710" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D008777", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0030518" + }, + { + "key": "positively correlated with", + "source": "GO:0030518", + "target": "GO:0071394" + }, + { + "key": "positively correlated with", + "source": "GO:0030518", + "target": "GO:0071391" + }, + { + "key": "positively correlated with", + "source": "GO:0071394", + "target": "GO:0048808" + }, + { + "key": "positively correlated with", + "source": "GO:0071391", + "target": "GO:0048807" + }, + { + "key": "negatively correlated with", + "source": "GO:0048808", + "target": "MESH:D011628" + }, + { + "key": "negatively correlated with", + "source": "GO:0048807", + "target": "MESH:D011628" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008777", + "label": "Drug", + "name": "methyltestosterone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0030518", + "label": "BiologicalProcess", + "name": "intracellular steroid hormone receptor signaling pathway" + }, + { + "id": "GO:0071394", + "label": "BiologicalProcess", + "name": "cellular response to testosterone stimulus" + }, + { + "id": "GO:0071391", + "label": "BiologicalProcess", + "name": "cellular response to estrogen stimulus" + }, + { + "id": "GO:0048808", + "label": "BiologicalProcess", + "name": "male genitalia morphogenesis" + }, + { + "id": "GO:0048807", + "label": "BiologicalProcess", + "name": "female genitalia morphogenesis" + }, + { + "id": "MESH:D011628", + "label": "Disease", + "name": "Puberty, Delayed" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06710#mechanism-of-action", + "https://en.wikipedia.org/wiki/Delayed_pubertydrugs/DB06710#mechanism-of-action" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission (https://go.drugbank.com/drugs/DB00555#BE0000013). However this is rather contentious, so it has not been annotated as such in here. Besides if the drug does modulate gamma-aminobutyric acid receptor it's a rather weak inhibition seen in animal models (yet to be determined in humans). Note that the drug could be contraindicated for treatment of seizures as it can exacerbate them (https://pubmed.ncbi.nlm.nih.gov/9596203/). Finally, note that this disease is denoted as Tonic-clonic seizure in the original file but known as Seizures in MESH.", + "directed": true, + "graph": { + "_id": "DB00555_MESH_D012640_1", + "disease": "Seizures", + "disease_mesh": "MESH:D012640", + "drug": "lamotrigine", + "drug_mesh": "MESH:C047781", + "drugbank": "DB:DB00555" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C047781", + "target": "InterPro:IPR001696" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061530" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061530", + "target": "HP:0020219" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0020219" + }, + { + "key": "positively correlated with", + "source": "HP:0020219", + "target": "MESH:D012640" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047781", + "label": "Drug", + "name": "lamotrigine" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "GO:0061530", + "label": "BiologicalProcess", + "name": "aspartate secretion, neurotransmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0020219", + "label": "PhenotypicFeature", + "name": "Motor seizure" + }, + { + "id": "MESH:D012640", + "label": "Disease", + "name": "Seizures" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00555#mechanism-of-action", + "https://en.wikipedia.org/wiki/Lamotrigine#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Glutamate_(neurotransmitter)#Disease,_disabilities,_and_pharmacology" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission (https://go.drugbank.com/drugs/DB00555#BE0000013). However this is rather contentious, so it has not been annotated as such in here. Besides if the drug does inhibit gamma-aminobutyric acid receptor it's a rather weak inhibition seen in animal models (yet to be determined in humans). Note that the drug could be contraindicated for treatment of seizures as it can exacerbate them, specially the myoclonic type (https://pubmed.ncbi.nlm.nih.gov/9596203/). Finally, this disease is denoted as Tonic-clonic seizure in the original file but known as Seizures in MESH.", + "directed": true, + "graph": { + "_id": "DB00555_MESH_D012640_2", + "disease": "Seizures", + "disease_mesh": "MESH:D012640", + "drug": "lamotrigine", + "drug_mesh": "MESH:C047781", + "drugbank": "DB:DB00555" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C047781", + "target": "UniProt:Q15878" + }, + { + "key": "participates in", + "source": "UniProt:Q15878", + "target": "reactome:R-HSA-112308" + }, + { + "key": "participates in", + "source": "UniProt:Q15878", + "target": "reactome:R-HSA-112308" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-112308", + "target": "GO:0007268" + }, + { + "key": "positively correlated with", + "source": "GO:0007268", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0020219" + }, + { + "key": "positively correlated with", + "source": "HP:0020219", + "target": "MESH:D012640" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047781", + "label": "Drug", + "name": "lamotrigine" + }, + { + "id": "UniProt:Q15878", + "label": "Protein", + "name": "Voltage-dependent R-type calcium channel subunit alpha-1E" + }, + { + "id": "reactome:R-HSA-112308", + "label": "Pathway", + "name": "Presynaptic depolarization and calcium channel opening" + }, + { + "id": "GO:0007268", + "label": "BiologicalProcess", + "name": "chemical synaptic transmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0020219", + "label": "PhenotypicFeature", + "name": "Motor seizure" + }, + { + "id": "MESH:D012640", + "label": "Disease", + "name": "Seizures" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00555#BE0009609", + "https://en.wikipedia.org/wiki/Lamotrigine#Mechanism_of_action", + "https://pubmed.ncbi.nlm.nih.gov/10530688/", + "https://pubmed.ncbi.nlm.nih.gov/9579933/", + "https://en.wikipedia.org/wiki/Anticonvulsant", + "https://en.wikipedia.org/wiki/Neuroprotection" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission as listed by DrugBank (https://go.drugbank.com/drugs/DB00555#BE0000013). However, this is contentious and if the drug does modulate GABA it's not known whether it is as agonist or antagonist due to conflicting data (at best it would be a weak modulation seen in animal models only). Note that the drug could be contraindicated for treatment of seizures as it can exacerbate them, specially the myoclonic type (https://pubmed.ncbi.nlm.nih.gov/9596203/). Finally, this disease is denoted as Simple partial seizure in the original file but known as Epilepsies, Partial in MESH.", + "directed": true, + "graph": { + "_id": "DB00555_MESH_D004828_1", + "disease": "Epilepsies, Partial", + "disease_mesh": "MESH:D004828", + "drug": "lamotrigine", + "drug_mesh": "MESH:C047781", + "drugbank": "DB:DB00555" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C047781", + "target": "InterPro:IPR001696" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061530" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061530", + "target": "HP:0032843" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0032843" + }, + { + "key": "positively correlated with", + "source": "HP:0032843", + "target": "MESH:D004828" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047781", + "label": "Drug", + "name": "lamotrigine" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "GO:0061530", + "label": "BiologicalProcess", + "name": "aspartate secretion, neurotransmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0032843", + "label": "PhenotypicFeature", + "name": "Focal-onset epileptic spasm" + }, + { + "id": "MESH:D004828", + "label": "Disease", + "name": "Epilepsies, Partial" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00555#mechanism-of-action", + "https://en.wikipedia.org/wiki/Lamotrigine#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Glutamate_(neurotransmitter)#Disease,_disabilities,_and_pharmacology", + "https://en.wikipedia.org/wiki/Focal_seizure" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission as listed by DrugBank (https://go.drugbank.com/drugs/DB00555#BE0000013). However, this is contentious and if the drug does modulate GABA it's not known whether it is as agonist or antagonist due to conflicting data (at best it would be a weak modulation seen in animal models only). Note that the drug could be contraindicated for treatment of seizures as it can exacerbate them, specially the myoclonic type (https://pubmed.ncbi.nlm.nih.gov/9596203/). Finally, this disease is denoted as Simple partial seizure in the original file but known as Epilepsies, Partial in MESH.", + "directed": true, + "graph": { + "_id": "DB00555_MESH_D004828_2", + "disease": "Epilepsies, Partial", + "disease_mesh": "MESH:D004828", + "drug": "lamotrigine", + "drug_mesh": "MESH:C047781", + "drugbank": "DB:DB00555" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C047781", + "target": "UniProt:Q15878" + }, + { + "key": "participates in", + "source": "UniProt:Q15878", + "target": "reactome:R-HSA-112308" + }, + { + "key": "participates in", + "source": "UniProt:Q15878", + "target": "reactome:R-HSA-112308" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-112308", + "target": "GO:0007268" + }, + { + "key": "positively correlated with", + "source": "GO:0007268", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0032843" + }, + { + "key": "positively correlated with", + "source": "HP:0032843", + "target": "MESH:D004828" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047781", + "label": "Drug", + "name": "lamotrigine" + }, + { + "id": "UniProt:Q15878", + "label": "Protein", + "name": "Voltage-dependent R-type calcium channel subunit alpha-1E" + }, + { + "id": "reactome:R-HSA-112308", + "label": "Pathway", + "name": "Presynaptic depolarization and calcium channel opening" + }, + { + "id": "GO:0007268", + "label": "BiologicalProcess", + "name": "chemical synaptic transmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0032843", + "label": "PhenotypicFeature", + "name": "Focal-onset epileptic spasm" + }, + { + "id": "MESH:D004828", + "label": "Disease", + "name": "Epilepsies, Partial" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00555#BE0009609", + "https://en.wikipedia.org/wiki/Lamotrigine#Mechanism_of_action", + "https://pubmed.ncbi.nlm.nih.gov/10530688/", + "https://pubmed.ncbi.nlm.nih.gov/9579933/", + "https://en.wikipedia.org/wiki/Anticonvulsant", + "https://en.wikipedia.org/wiki/Neuroprotection" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission as listed by DrugBank (https://go.drugbank.com/drugs/DB00555#BE0000013). However, this is contentious and if the drug does modulate GABA it's not known whether it is as agonist or antagonist due to conflicting data (at best it would be a weak modulation seen in animal models only). Note that the drug could be contraindicated for treatment of seizures as it can exacerbate them, specially the myoclonic type (https://pubmed.ncbi.nlm.nih.gov/9596203/).", + "directed": true, + "graph": { + "_id": "DB00555_MESH_D065768_1", + "disease": "Lennox-Gastaut syndrome", + "disease_mesh": "MESH:D065768", + "drug": "lamotrigine", + "drug_mesh": "MESH:C047781", + "drugbank": "DB:DB00555" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C047781", + "target": "InterPro:IPR001696" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061530" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061530", + "target": "HP:0032792" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0032792" + }, + { + "key": "positively correlated with", + "source": "HP:0032792", + "target": "MESH:D065768" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047781", + "label": "Drug", + "name": "lamotrigine" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "GO:0061530", + "label": "BiologicalProcess", + "name": "aspartate secretion, neurotransmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0032792", + "label": "PhenotypicFeature", + "name": "Tonic seizure" + }, + { + "id": "MESH:D065768", + "label": "Disease", + "name": "Lennox-Gastaut syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00555#mechanism-of-action", + "https://en.wikipedia.org/wiki/Lamotrigine#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Lennox%E2%80%93Gastaut_syndrome#Signs_and_symptoms", + "https://en.wikipedia.org/wiki/Glutamate_(neurotransmitter)#Disease,_disabilities,_and_pharmacology" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission as listed by DrugBank (https://go.drugbank.com/drugs/DB00555#BE0000013). However, this is contentious and if the drug does modulate GABA it's not known whether it is as agonist or antagonist due to conflicting data (at best it would be a weak modulation seen in animal models only). Note that the drug could be contraindicated for treatment of seizures as it can exacerbate them, specially the myoclonic type (https://pubmed.ncbi.nlm.nih.gov/9596203/).", + "directed": true, + "graph": { + "_id": "DB00555_MESH_D065768_2", + "disease": "Lennox-Gastaut syndrome", + "disease_mesh": "MESH:D065768", + "drug": "lamotrigine", + "drug_mesh": "MESH:C047781", + "drugbank": "DB:DB00555" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C047781", + "target": "UniProt:Q15878" + }, + { + "key": "participates in", + "source": "UniProt:Q15878", + "target": "reactome:R-HSA-112308" + }, + { + "key": "participates in", + "source": "UniProt:Q15878", + "target": "reactome:R-HSA-112308" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-112308", + "target": "GO:0007268" + }, + { + "key": "positively correlated with", + "source": "GO:0007268", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0032792" + }, + { + "key": "positively correlated with", + "source": "HP:0032792", + "target": "MESH:D065768" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047781", + "label": "Drug", + "name": "lamotrigine" + }, + { + "id": "UniProt:Q15878", + "label": "Protein", + "name": "Voltage-dependent R-type calcium channel subunit alpha-1E" + }, + { + "id": "reactome:R-HSA-112308", + "label": "Pathway", + "name": "Presynaptic depolarization and calcium channel opening" + }, + { + "id": "GO:0007268", + "label": "BiologicalProcess", + "name": "chemical synaptic transmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0032792", + "label": "PhenotypicFeature", + "name": "Tonic seizure" + }, + { + "id": "MESH:D065768", + "label": "Disease", + "name": "Lennox-Gastaut syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00555#BE0009609", + "https://en.wikipedia.org/wiki/Lamotrigine#Mechanism_of_action", + "https://pubmed.ncbi.nlm.nih.gov/10530688/", + "https://pubmed.ncbi.nlm.nih.gov/9579933/", + "https://en.wikipedia.org/wiki/Anticonvulsant", + "https://en.wikipedia.org/wiki/Neuroprotection" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission as listed by DrugBank (https://go.drugbank.com/drugs/DB00555#BE0000013). However, this is contentious and if the drug does modulate GABA it's not known whether it is as agonist or antagonist due to conflicting data (at best it would be a weak modulation seen in animal models only). Note that the drug could be contraindicated for treatment of seizures as it can exacerbate them, specially the myoclonic type (https://pubmed.ncbi.nlm.nih.gov/9596203/).", + "directed": true, + "graph": { + "_id": "DB00555_MESH_D004827_1", + "disease": "Epilepsy", + "disease_mesh": "MESH:D004827", + "drug": "lamotrigine", + "drug_mesh": "MESH:C047781", + "drugbank": "DB:DB00555" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C047781", + "target": "InterPro:IPR001696" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061530" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061530", + "target": "HP:0020219" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0020219" + }, + { + "key": "positively correlated with", + "source": "HP:0020219", + "target": "MESH:D004827" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047781", + "label": "Drug", + "name": "lamotrigine" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "GO:0061530", + "label": "BiologicalProcess", + "name": "aspartate secretion, neurotransmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0020219", + "label": "PhenotypicFeature", + "name": "Motor seizure" + }, + { + "id": "MESH:D004827", + "label": "Disease", + "name": "Epilepsy" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00555#mechanism-of-action", + "https://en.wikipedia.org/wiki/Lamotrigine#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Lennox%E2%80%93Gastaut_syndrome#Signs_and_symptoms", + "https://en.wikipedia.org/wiki/Glutamate_(neurotransmitter)#Disease,_disabilities,_and_pharmacology" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission as listed by DrugBank (https://go.drugbank.com/drugs/DB00555#BE0000013). However, this is contentious and if the drug does modulate GABA it's not known whether it is as agonist or antagonist due to conflicting data (at best it would be a weak modulation seen in animal models only). Note that the drug could be contraindicated for treatment of seizures as it can exacerbate them, specially the myoclonic type (https://pubmed.ncbi.nlm.nih.gov/9596203/).", + "directed": true, + "graph": { + "_id": "DB00555_MESH_D004827_2", + "disease": "Epilepsy", + "disease_mesh": "MESH:D004827", + "drug": "lamotrigine", + "drug_mesh": "MESH:C047781", + "drugbank": "DB:DB00555" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C047781", + "target": "UniProt:Q15878" + }, + { + "key": "participates in", + "source": "UniProt:Q15878", + "target": "reactome:R-HSA-112308" + }, + { + "key": "participates in", + "source": "UniProt:Q15878", + "target": "reactome:R-HSA-112308" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-112308", + "target": "GO:0007268" + }, + { + "key": "positively correlated with", + "source": "GO:0007268", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0020219" + }, + { + "key": "positively correlated with", + "source": "HP:0020219", + "target": "MESH:D004827" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047781", + "label": "Drug", + "name": "lamotrigine" + }, + { + "id": "UniProt:Q15878", + "label": "Protein", + "name": "Voltage-dependent R-type calcium channel subunit alpha-1E" + }, + { + "id": "reactome:R-HSA-112308", + "label": "Pathway", + "name": "Presynaptic depolarization and calcium channel opening" + }, + { + "id": "GO:0007268", + "label": "BiologicalProcess", + "name": "chemical synaptic transmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0020219", + "label": "PhenotypicFeature", + "name": "Motor seizure" + }, + { + "id": "MESH:D004827", + "label": "Disease", + "name": "Epilepsy" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00555#BE0009609", + "https://en.wikipedia.org/wiki/Lamotrigine#Mechanism_of_action", + "https://pubmed.ncbi.nlm.nih.gov/10530688/", + "https://pubmed.ncbi.nlm.nih.gov/9579933/", + "https://en.wikipedia.org/wiki/Anticonvulsant", + "https://en.wikipedia.org/wiki/Neuroprotection" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00850_MESH_D012559_2", + "disease": "Schizophrenia", + "disease_mesh": "MESH:D012559", + "drug": "prochlorperazine", + "drug_mesh": "MESH:D011346", + "drugbank": "DB:DB00850" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D011346", + "target": "UniProt:P14416" + }, + { + "key": "positively regulates", + "source": "UniProt:P14416", + "target": "GO:0014046" + }, + { + "key": "increases abundance of", + "source": "GO:0014046", + "target": "CHEBI:18243" + }, + { + "key": "positively correlated with", + "source": "CHEBI:18243", + "target": "MESH:D012559" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011346", + "label": "Drug", + "name": "prochlorperazine" + }, + { + "id": "UniProt:P14416", + "label": "Protein", + "name": "D(2) dopamine receptor" + }, + { + "id": "GO:0014046", + "label": "BiologicalProcess", + "name": "dopamine secretion" + }, + { + "id": "CHEBI:18243", + "label": "ChemicalSubstance", + "name": "dopamine" + }, + { + "id": "MESH:D012559", + "label": "Disease", + "name": "Schizophrenia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00433#mechanism-of-action", + "https://en.wikipedia.org/wiki/Prochlorperazine#Pharmacology", + "https://en.wikipedia.org/wiki/Antipsychotic#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Mesolimbic_pathway#Relation_to_neurological_and_psychological_disorders" + ] + }, + { + "comment": "Aminosalicylic acid is often administered in association with isoniazid", + "directed": true, + "graph": { + "_id": "DB00233_MESH_D014397_1", + "disease": "Pulmonary tuberculosis", + "disease_mesh": "MESH:D014397", + "drug": "Aminosalicylic acid", + "drug_mesh": "MESH:D010131", + "drugbank": "DB:DB00233" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D010131", + "target": "InterPro:IPR001796" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001796", + "target": "GO:0071897" + }, + { + "key": "positively correlated with", + "source": "GO:0071897", + "target": "GO:0051301" + }, + { + "key": "in taxon", + "source": "GO:0051301", + "target": "taxonomy:1773" + }, + { + "key": "causes", + "source": "taxonomy:1773", + "target": "MESH:D014397" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010131", + "label": "Drug", + "name": "Aminosalicylic acid" + }, + { + "id": "InterPro:IPR001796", + "label": "GeneFamily", + "name": "Dihydrofolate reductase domain" + }, + { + "id": "GO:0071897", + "label": "BiologicalProcess", + "name": "DNA biosynthetic process" + }, + { + "id": "GO:0051301", + "label": "BiologicalProcess", + "name": "Cell division" + }, + { + "id": "taxonomy:1773", + "label": 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+ "disease": "Bacterial infection due to Serratia", + "disease_mesh": "MESH:D016868", + "drug": "Azlocillin", + "drug_mesh": "MESH:D001390", + "drugbank": "DB:DB01061" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D001390", + "target": "InterPro:IPR005311" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005311", + "target": "GO:0009252" + }, + { + "key": "positively regulates", + "source": "GO:0009252", + "target": "GO:0009273" + }, + { + "key": "positively correlated with", + "source": "GO:0009273", + "target": "GO:0051301" + }, + { + "key": "in taxon", + "source": "GO:0051301", + "target": "taxonomy:615" + }, + { + "key": "causes", + "source": "taxonomy:615", + "target": "MESH:D016868" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D001390", + "label": "Drug", + "name": "Azlocillin" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "Peptidoglycan biosynthetic process" + }, + { + "id": "InterPro:IPR005311", + "label": "GeneFamily", + "name": "Penicillin binding proteins" + }, + { + "id": "GO:0009273", + "label": "BiologicalProcess", + "name": "Peptidoglycan-based cell wall biogenesis" + }, + { + "id": "GO:0051301", + "label": "BiologicalProcess", + "name": "Cell division" + }, + { + "id": "taxonomy:615", + "label": "OrganismTaxon", + "name": "Serratia marcescens" + }, + { + "id": "MESH:D016868", + "label": "Disease", + "name": "Bacterial infection due to Serratia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01061" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01061_MESH_D014552_1", + "disease": "Urinary tract infectious disease", + "disease_mesh": "MESH:D014552", + "drug": "Azlocillin", + "drug_mesh": "MESH:D001390", + "drugbank": "DB:DB01061" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D001390", + "target": "InterPro:IPR005311" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005311", + 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"Drug", + "name": "ibrutinib" + }, + { + "id": "UniProt:Q06187", + "label": "Protein", + "name": "Tyrosine-protein kinase BTK" + }, + { + "id": "GO:0050853", + "label": "BiologicalProcess", + "name": "B cell receptor signaling pathway" + }, + { + "id": "GO:0002368", + "label": "BiologicalProcess", + "name": "B cell cytokine production" + }, + { + "id": "GO:0060326", + "label": "BiologicalProcess", + "name": "cell chemotaxis" + }, + { + "id": "GO:0006915", + "label": "BiologicalProcess", + "name": "apoptotic process" + }, + { + "id": "MESH:D015451", + "label": "Disease", + "name": "Chronic lymphoid leukemia, disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09053#mechanism-of-action", + "https://en.wikipedia.org/wiki/Ibrutinib#Mechanism", + "https://en.wikipedia.org/wiki/Ibrutinib#Medical_uses", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4632638/" + ] + }, + { + "comments": "Many other members of the sodium channel protein alpha unit family (MESH:D061566 or CHEMBL:2331043) could also be targets for this drug, presumably through the same MoA, according to ChEMBL (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201754/) and Pharos (https://pharos.nih.gov/ligands/rufinamide).", + "directed": true, + "graph": { + "_id": "DB06201_MESH_D065768_1", + "disease": "Lennox-Gastaut syndrome", + "disease_mesh": "MESH:D065768", + "drug": "rufinamide", + "drug_mesh": "MESH:C079703", + "drugbank": "DB:DB06201" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C079703", + "target": "UniProt:Q15858" + }, + { + "key": "positively regulates", + "source": "UniProt:Q15858", + "target": "GO:0019228" + }, + { + "key": "positively correlated with", + "source": "GO:0019228", + "target": "GO:0007269" + }, + { + "key": "positively correlated with", + "source": "GO:0007269", + "target": "HP:0032792" + }, + { + "key": "positively correlated with", + "source": "HP:0032792", + "target": "MESH:D065768" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C079703", + "label": "Drug", + "name": "rufinamide" + }, + { + "id": "UniProt:Q15858", + "label": "Protein", + "name": "Sodium channel protein type 9 subunit alpha" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "GO:0007269", + "label": "BiologicalProcess", + "name": "neurotransmitter secretion" + }, + { + "id": "HP:0032792", + "label": "PhenotypicFeature", + "name": "Tonic seizure" + }, + { + "id": "MESH:D065768", + "label": "Disease", + "name": "Lennox-Gastaut syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06201#mechanism-of-action", + "https://en.wikipedia.org/wiki/Rufinamide", + "https://pubmed.ncbi.nlm.nih.gov/30391662/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7461817/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7461817/", + "https://en.wikipedia.org/wiki/Lennox%E2%80%93Gastaut_syndrome#Seizures" + ] + }, + { + "comments": "The drug will inhibit the glutamate receptor only at high concentration (https://pubchem.ncbi.nlm.nih.gov/compound/129228#section=Pharmacology-and-Biochemistry).", + "directed": true, + "graph": { + "_id": "DB06201_MESH_D065768_2", + "disease": "Lennox-Gastaut syndrome", + "disease_mesh": "MESH:D065768", + "drug": "rufinamide", + "drug_mesh": "MESH:C079703", + "drugbank": "DB:DB06201" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C079703", + "target": "UniProt:P41594" + }, + { + "key": "positively correlated with", + "source": "UniProt:P41594", + "target": "GO:0099530" + }, + { + "key": "positively correlated with", + "source": "GO:0099530", + "target": "GO:0035249" + }, + { + "key": "positively correlated with", + "source": "GO:0035249", + "target": "HP:0032792" + }, + { + "key": "positively correlated with", + "source": "HP:0032792", + "target": "MESH:D065768" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C079703", + "label": "Drug", + "name": "rufinamide" + }, + { + "id": "UniProt:P41594", + "label": "Protein", + "name": "Metabotropic glutamate receptor 5" + }, + { + "id": "GO:0099530", + "label": "MolecularActivity", + "name": "G protein-coupled receptor activity involved in regulation of postsynaptic membrane potential" + }, + { + "id": "GO:0035249", + "label": "BiologicalProcess", + "name": "synaptic transmission, glutamatergic" + }, + { + "id": "HP:0032792", + "label": "PhenotypicFeature", + "name": "Tonic seizure" + }, + { + "id": "MESH:D065768", + "label": "Disease", + "name": "Lennox-Gastaut syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06201#mechanism-of-action", + "https://en.wikipedia.org/wiki/Rufinamide", + "https://pubmed.ncbi.nlm.nih.gov/30391662/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7461817/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7461817/", + "https://en.wikipedia.org/wiki/Lennox%E2%80%93Gastaut_syndrome#Seizures" + ] + }, + { + "comment": "This drug seems to have mixed effects in the dopamine, serotonin, and noradrenaline systems (https://pubmed.ncbi.nlm.nih.gov/2869188/), suggesting it can compensate for deficits in disease and in aging while preventing the pathological effects that result from excessive activity in these systems in normal individuals. This drug is contraindicated in patients who have psychosis, acute or chronic (https://en.wikipedia.org/wiki/Ergoloid#Contraindications).", + "directed": true, + "graph": { + "_id": "DB01049_MESH_D003704_1", + "disease": "Dementia", + "disease_mesh": "MESH:D003704", + "drug": "Ergoloid mesylates", + "drug_mesh": "MESH:D004877", + "drugbank": "DB:DB01049" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D004877", + "target": "InterPro:IPR000929" + }, + { + "key": "positively regulates", + "source": "MESH:D004877", + "target": "InterPro:IPR002231" + }, + { + "key": "negatively regulates", + "source": "MESH:D004877", + "target": "InterPro:IPR002233" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR000929", + "target": "GO:0001963" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR002231", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR002231", + "target": "GO:0001963" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR002231", + "target": "GO:0035249" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR002231", + "target": "GO:0051932" + }, + { + "key": "negatively correlated with", + "source": "GO:0007271", + "target": "HP:0001268" + }, + { + "key": "negatively correlated with", + "source": "GO:0035249", + "target": "HP:0001268" + }, + { + "key": "negatively correlated with", + "source": "GO:0051932", + "target": "HP:0001268" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR002233", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0002354" + }, + { + "key": "manifestation of", + "source": "HP:0002354", + "target": "MESH:D003704" + }, + { + "key": "negatively correlated with", + "source": "GO:0001963", + "target": "HP:0001268" + }, + { + "key": "manifestation of", + "source": "HP:0001268", + "target": "MESH:D003704" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004877", + "label": "Drug", + "name": "Ergoloid mesylates" + }, + { + "id": "InterPro:IPR000929", + "label": "GeneFamily", + "name": "Dopamine receptor family" + }, + { + "id": "InterPro:IPR002233", + "label": "GeneFamily", + "name": "Adrenoceptor family" + }, + { + "id": "InterPro:IPR002231", + "label": "GeneFamily", + "name": "5-hydroxytryptamine receptor family" + }, + { + "id": "GO:0001963", + "label": "BiologicalProcess", + "name": "synaptic transmission, dopaminergic" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "GO:0035249", + "label": "BiologicalProcess", + "name": "synaptic transmission, glutamatergic" + }, + { + "id": "GO:0051932", + "label": "BiologicalProcess", + "name": "synaptic transmission, GABAergic" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0002354", + "label": "PhenotypicFeature", + "name": "Memory impairment" + }, + { + "id": "HP:0001268", + "label": "PhenotypicFeature", + "name": "Mental deterioration" + }, + { + "id": "MESH:D003704", + "label": "Disease", + "name": "Dementia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01049#mechanism-of-action", + "https://en.wikipedia.org/wiki/Ergoloid#Mechanism_of_action", + "https://selfhacked.com/blog/hydergine/#Mechanism_of_Action", + "https://en.wikipedia.org/wiki/5-HT_receptor" + ] + }, + { + "comments": "This drug could potentially modulate UniProt:P43115 as it has little selectivity. However, the action upon activing this target would be vasoconstriction, which would be contraindicated in Pulmonary arterial hypertension. This could explain the hypertension adverse event reported in https://www.targetvalidation.org/summary?drug=CHEMBL494. DrugBank has the phosphodiesterase gene family as possible targets for this drug but this is based on experiments where Iloprost was used in combination with phosphodiesterase inhibitors. So, Iloprost on its own does not modulate phosphodiesterases.", + "directed": true, + "graph": { + "_id": "DB01088_MESH_D000081029_1", + "disease": "Pulmonary arterial hypertension", + "disease_mesh": "MESH:D000081029", + "drug": "iloprost", + "drug_mesh": "MESH:D016285", + "drugbank": "DB:DB01088" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D016285", + "target": "UniProt:P43119" + }, + { + "key": "increases activity of", + "source": "MESH:D016285", + "target": "UniProt:P34995" + }, + { + "key": "increases activity of", + "source": "MESH:D016285", + "target": "UniProt:P43116" + }, + { + "key": "increases activity of", + "source": "MESH:D016285", + "target": "UniProt:P35408" + }, + { + "key": "increases activity of", + "source": "MESH:D016285", + "target": "UniProt:Q9Y5Y4" + }, + { + "key": "decreases abundance of", + "source": "UniProt:P34995", + "target": "MESH:D002118" + }, + { + "key": "decreases abundance of", + "source": "UniProt:P43116", + "target": 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"Prostaglandin E2 receptor EP2 subtype" + }, + { + "id": "UniProt:P35408", + "label": "Protein", + "name": "Prostaglandin E2 receptor EP4 subtype" + }, + { + "id": "UniProt:Q9Y5Y4", + "label": "Protein", + "name": "Prostaglandin D2 receptor 2" + }, + { + "id": "MESH:D002118", + "label": "ChemicalSubstance", + "name": "Calcium" + }, + { + "id": "GO:0044557", + "label": "BiologicalProcess", + "name": "relaxation of smooth muscle" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D000081029", + "label": "Disease", + "name": "Pulmonary arterial hypertension" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01088#BE0000475", + "https://en.wikipedia.org/wiki/Iloprost#Clinical_pharmacology", + "https://en.wikipedia.org/wiki/Vasodilation#Examples_and_individual_mechanisms", + "https://en.wikipedia.org/wiki/Prostacyclin#Mechanism", + "https://en.wikipedia.org/wiki/Prostaglandin_EP3_receptor#Therapeutics" + ] + }, + { + "comment": "the exact mechanism by which anagrelide lowers platelet count is unclear", + "directed": true, + "graph": { + "_id": "DB00261_MESH_D013920_1", + "disease": "Essential thrombocythemia", + "disease_mesh": "MESH:D013920", + "drug": "Anagrelide", + "drug_mesh": "MESH:C021139", + "drugbank": "DB:DB00261" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C021139", + "target": "GO:0035855" + }, + { + "key": "positively correlated with", + "source": "GO:0035855", + "target": "GO:0030220" + }, + { + "key": "positively correlated with", + "source": "GO:0030220", + "target": "HP:0001894" + }, + { + "key": "manifestation of", + "source": "HP:0001894", + "target": "MESH:D013920" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C021139", + "label": "Drug", + "name": "Anagrelid" + }, + { + "id": "GO:0035855", + "label": "BiologicalProcess", + "name": "Megakaryocyte development" + }, + { + "id": "GO:0030220", + "label": "BiologicalProcess", + "name": "Platelet formation" + }, + { + "id": "HP:0001894", + "label": "PhenotypicFeature", + "name": "Thrombocytosis" + }, + { + "id": "MESH:D013920", + "label": "Disease", + "name": "Essential thrombocythemia" + } + ], + "reference": [ + "https://pubmed.ncbi.nlm.nih.gov/12487784/", + "https://go.drugbank.com/drugs/DB00261#BE0000436", + "https://en.wikipedia.org/wiki/Essential_thrombocythemia" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00309_MESH_D008545_1", + "disease": "Malignant melanoma", + "disease_mesh": "MESH:D008545", + "drug": "Vindesine", + "drug_mesh": "MESH:D014751", + "drugbank": "DB:DB00309" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D014751", + "target": "UniProt:Q9H4B7" + }, + { + "key": "part of", + "source": "UniProt:Q9H4B7", + "target": "GO:1902850" + }, + { + "key": "positively regulates", + "source": "GO:1902850", + "target": "GO:0140014" + }, + { + "key": "positively correlated with", + "source": "GO:0140014", + "target": 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Capreomycin is used in the treatment of tuberculosis in combination with other drugs.", + "directed": true, + "graph": { + "_id": "DB00314_MESH_D014397_1", + "disease": "Pulmonary tuberculosis", + "disease_mesh": "MESH:D014397", + "drug": "Capreomycin", + "drug_mesh": "MESH:D002207", + "drugbank": "DB:DB00314" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D002207", + "target": "GO:0005840" + }, + { + "key": "participates in", + "source": "GO:0005840", + "target": "GO:0006412" + }, + { + "key": "in taxon", + "source": "GO:0006412", + "target": "taxonomy:1773" + }, + { + "key": "causes", + "source": "taxonomy:1773", + "target": "MESH:D014397" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002207", + "label": "Drug", + "name": "Capreomycin" + }, + { + "id": "GO:0005840", + "label": "CellularComponent", + "name": "Ribosome" + }, + { + "id": "GO:0006412", + "label": "BiologicalProcess", + "name": "Translation" + }, + { + "id": "taxonomy:1773", + 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Please note tetracosactide does not significantly increase plasma cortisol concentration in patients with primary or secondary adrenocortical insufficiency.", + "directed": true, + "graph": { + "_id": "DB01284_MESH_D000309_1", + "disease": "Adrenal cortical hypofunction", + "disease_mesh": "MESH:D000309", + "drug": "Tetracosactide", + "drug_mesh": "MESH:D003366", + "drugbank": "DB:DB01284" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D003366", + "target": "UniProt:Q01718" + }, + { + "key": "positively regulates", + "source": "UniProt:Q01718", + "target": "reactome:R-HSA-170660" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-170660", + "target": "GO:0006694" + }, + { + "key": "increases abundance of", + "source": "GO:0006694", + "target": "MESH:D000305" + }, + { + "key": "negatively correlated with", + "source": "MESH:D000305", + "target": "MESH:D000309" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003366", + "label": "Drug", + "name": "Tetracosactide" + }, + { + "id": "UniProt:Q01718", + "label": "Protein", + "name": "Adrenocorticotropic hormone receptor" + }, + { + "id": "reactome:R-HSA-170660", + "label": "Pathway", + "name": "Adenylate cyclase activating pathway" + }, + { + "id": "GO:0006694", + "label": "BiologicalProcess", + "name": "Steroid biosynthetic process" + }, + { + "id": "MESH:D000305", + "label": "ChemicalSubstance", + "name": "Adrenal Cortex Hormones" + }, + { + "id": "MESH:D000309", + "label": "Disease", + "name": "Adrenal cortical hypofunction" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01284#BE0000848", + "https://en.wikipedia.org/wiki/Adrenocorticotropic_hormone#Function", + "https://en.wikipedia.org/wiki/ACTH_stimulation_test" + ] + }, + { + "comment": "Illicit, Withdrawn. Please note that amineptine selectively inhibits the reuptake of dopamine and to a lesser extent norepinephrine.", + "directed": true, + "graph": { + "_id": "DB04836_MESH_D003866_1", + "disease": "Depressive disorder", + "disease_mesh": "MESH:D003866", + "drug": "Amineptine", + "drug_mesh": "MESH:C011597", + "drugbank": "DB:DB04836" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C011597", + "target": "UniProt:P23975" + }, + { + "key": "decreases activity of", + "source": "MESH:C011597", + "target": "UniProt:Q01959" + }, + { + "key": "positively regulates", + "source": "MESH:C011597", + "target": "GO:0061527" + }, + { + "key": "participates in", + "source": "UniProt:P23975", + "target": "GO:0051620" + }, + { + "key": "participates in", + "source": "UniProt:Q01959", + "target": "GO:0051583" + }, + { + "key": "decreases abundance of", + "source": "GO:0051620", + "target": "MESH:D009638" + }, + { + "key": "decreases abundance of", + "source": "GO:0051583", + "target": "MESH:D004298" + }, + { + "key": "participates in", + "source": "MESH:D009638", + "target": "GO:0061533" + }, + { + "key": "participates in", + "source": "MESH:D004298", + "target": "GO:0061527" + }, + { + "key": "negatively correlated with", + "source": "GO:0061533", + "target": "MESH:D003866" + }, + { + "key": "negatively correlated with", + "source": "GO:0061527", + "target": "MESH:D003866" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C011597", + "label": "Drug", + "name": "Amineptine" + }, + { + "id": "UniProt:P23975", + "label": "Protein", + "name": "Sodium-dependent noradrenaline transporter" + }, + { + "id": "UniProt:Q01959", + "label": "Protein", + "name": "Sodium-dependent dopamine transporter" + }, + { + "id": "GO:0051620", + "label": "BiologicalProcess", + "name": "Noradrenaline uptake" + }, + { + "id": "GO:0051583", + "label": "BiologicalProcess", + "name": "Dopamine uptake involved in synaptic transmission" + }, + { + "id": "MESH:D009638", + "label": "ChemicalSubstance", + "name": "Noradrenaline" + }, + { + "id": "MESH:D004298", + "label": "ChemicalSubstance", + "name": "Dopamine" + }, + { + "id": "GO:0061533", + "label": "BiologicalProcess", + "name": "Norepinephrine secretion, neurotransmission" + }, + { + "id": "GO:0061527", + "label": "BiologicalProcess", + "name": "Dopamine secretion, neurotransmission" + }, + { + "id": "MESH:D003866", + "label": "Disease", + "name": "Depressive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04836", + "https://en.wikipedia.org/wiki/Amineptine#Pharmacology" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB04843_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MESH:D010437", + "drug": "Mepenzolate", + "drug_mesh": "MESH:C005101", + "drugbank": "DB:DB04843" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C005101", + "target": "UniProt:P20309" + }, + { + "key": "decreases activity of", + "source": "MESH:C005101", + "target": "UniProt:P11229" + }, + { + "key": "participates in", + "source": "UniProt:P11229", + "target": "GO:0001699" + }, + { + "key": "participates in", + "source": "UniProt:P20309", + "target": "GO:0001699" + }, + { + "key": "increases abundance of", + "source": "GO:0001699", + "target": "MESH:D005744" + }, + { + "key": "contributes to", + "source": "MESH:D005744", + "target": "MESH:D010437" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005101", + "label": "Drug", + "name": "Mepenzolate" + }, + { + "id": "UniProt:P20309", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M3" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0001699", + "label": "BiologicalProcess", + "name": "Acetylcholine-induced gastric acid secretion" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric acid" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04843#BE0000092" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB04843_MESH_D013276_1", + "disease": "Gastric ulcer", + "disease_mesh": "MESH:D013276", + "drug": "Mepenzolate", + "drug_mesh": "MESH:C005101", + "drugbank": "DB:DB04843" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C005101", + "target": "UniProt:P20309" + }, + { + "key": "decreases activity of", + "source": "MESH:C005101", + "target": "UniProt:P11229" + }, + { + "key": "participates in", + "source": "UniProt:P11229", + "target": "GO:0001699" + }, + { + "key": "participates in", + "source": "UniProt:P20309", + "target": "GO:0001699" + }, + { + "key": "increases abundance of", + "source": "GO:0001699", + "target": "MESH:D005744" + }, + { + "key": "contributes to", + "source": "MESH:D005744", + "target": "MESH:D013276" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005101", + "label": "Drug", + "name": "Mepenzolate" + }, + { + "id": "UniProt:P20309", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M3" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0001699", + "label": "BiologicalProcess", + "name": "Acetylcholine-induced gastric acid secretion" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric acid" + }, + { + "id": "MESH:D013276", + "label": "Disease", + "name": "Gastric ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04843#BE0000092" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB04890_MESH_D003233_1", + "disease": "Allergic conjunctivitis", + "disease_mesh": "MESH:D003233", + "drug": "bepotastine", + "drug_mesh": "MESH:C511534,MESH:C108476", + "drugbank": "DB:DB04890" + }, + "links": [ + { + "key": "decreases activity of", + "source": "DB:DB04890", + "target": "UniProt:P35367" + }, + { + "key": "negatively regulates", + "source": "DB:DB04890", + "target": "GO:0043303" + }, + { + "key": "increases abundance of", + "source": "GO:0043303", + "target": "MESH:D006632" + }, + { + "key": "positively correlated with", + "source": "UniProt:P35367", + "target": "MESH:D006632" + }, + { + "key": "positively regulates", + "source": "MESH:D006632", + "target": "UBERON:0035501" + }, + { + "key": "positively regulates", + "source": "UBERON:0035501", + "target": "GO:0070075" + }, + { + "key": "manifestation of", + "source": "GO:0070075", + "target": "MESH:D003233" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB04890", + "label": "Drug", + "name": "Bepotastine" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0043303", + "label": "BiologicalProcess", + "name": "Mast cell degranulation" + }, + { + "id": "MESH:D006632", + "label": "ChemicalSubstance", + "name": "Histamine" + }, + { + "id": "UBERON:0035501", + "label": "GrossAnatomicalStructure", + "name": "Free nerve ending" + }, + { + "id": "GO:0070075", + "label": "BiologicalProcess", + "name": "Tear secretion" + }, + { + "id": "MESH:D003233", + "label": "Disease", + "name": "Allergic conjunctivitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04890#BE0000442" + ] + }, + { + "comment": "Please note that the mechanism by which peginterferon beta-1a exerts its effects in patients with multiple sclerosis is not fully known. Although DrugBank states that Peginterferon beta-1a is an Interferon alpha/beta receptor 1 downregulator, there is an evidence in the literature showing that Peginterferon beta-1a is in fact Interferon alpha/beta receptor 1 activator https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4303928/", + "directed": true, + "graph": { + "_id": "DB09122_MESH_D020529_1", + "disease": "Relapsing remitting multiple sclerosis", + "disease_mesh": "MESH:D020529", + "drug": "Peginterferon beta-1a", + "drug_mesh": "MESH:C428112", + "drugbank": "DB:DB09122" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C428112", + "target": "UniProt:P17181" + }, + { + "key": "negatively regulates", + "source": "UniProt:P17181", + "target": "GO:0006954" + }, + { + "key": "negatively regulates", + "source": "UniProt:P17181", + "target": "GO:0042100" + }, + { + "key": "negatively regulates", + "source": "UniProt:P17181", + "target": "GO:0050798" + }, + { + "key": "negatively regulates", + "source": 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"GO:0019882", + "label": "BiologicalProcess", + "name": "Antigen processing and presentation" + }, + { + "id": "MESH:D020529", + "label": "Disease", + "name": "Relapsing remitting multiple sclerosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09122", + "https://pubmed.ncbi.nlm.nih.gov/28638705/", + "https://pubmed.ncbi.nlm.nih.gov/17562848/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09128_MESH_D003865_1", + "disease": "Major depressive disorder", + "disease_mesh": "MESH:D003865", + "drug": "Brexpiprazole", + "drug_mesh": "MESH:C000591922", + "drugbank": "DB:DB09128" + }, + "links": [ + { + "key": "regulates", + "source": "MESH:C000591922", + "target": "UniProt:P08908" + }, + { + "key": "regulates", + "source": "MESH:C000591922", + "target": "UniProt:P14416" + }, + { + "key": "decreases activity of", + "source": "MESH:C000591922", + "target": "UniProt:P28223" + }, + { + "key": "positively correlated with", + "source": "UniProt:P08908", + "target": 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"MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09045#BE0000857", + "https://en.wikipedia.org/wiki/Glucagon-like_peptide-1" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09477_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MESH:D006973", + "drug": "Enalaprilat", + "drug_mesh": "MESH:D015773", + "drugbank": "DB:DB09477" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D015773", + "target": "UniProt:P12821" + }, + { + "key": "increases abundance of", + "source": "UniProt:P12821", + "target": "MESH:D000804" + }, + { + "key": "causes", + "source": "MESH:D000804", + "target": "GO:0070294" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0003092" + }, + { + "key": "contributes to", + "source": "GO:0003092", + "target": "GO:0045777" + }, + { + "key": "affects risk for", + "source": "GO:0045777", + 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+ "reference": [ + "https://go.drugbank.com/drugs/DB09477#BE0000221" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09477_MESH_D006333_1", + "disease": "Congestive heart failure", + "disease_mesh": "MESH:D006333", + "drug": "Enalaprilat", + "drug_mesh": "MESH:D015773", + "drugbank": "DB:DB09477" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D015773", + "target": "UniProt:P12821" + }, + { + "key": "increases abundance of", + "source": "UniProt:P12821", + "target": "MESH:D000804" + }, + { + "key": "causes", + "source": "MESH:D000804", + "target": "GO:0070294" + }, + { + "key": "causes", + "source": "MESH:D000804", + "target": "MESH:D014661" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0045777" + }, + { + "key": "affects risk for", + "source": "GO:0045777", + "target": "HP:0000822" + }, + { + "key": "contributes to", + "source": "MESH:D014661", + "target": "HP:0000822" + }, + { + "key": "affects risk for", + "source": "HP:0000822", + "target": "MESH:D006333" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015773", + "label": "Drug", + "name": "Enalaprilat" + }, + { + "id": "UniProt:P12821", + "label": "Protein", + "name": "Angiotensin-converting enzyme" + }, + { + "id": "MESH:D000804", + "label": "ChemicalSubstance", + "name": "Angiotensin II" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "Renal sodium ion absorption" + }, + { + "id": "GO:0045777", + "label": "BiologicalProcess", + "name": "Positive regulation of blood pressure" + }, + { + "id": "MESH:D014661", + "label": "Disease", + "name": "Vasoconstriction" + }, + { + "id": "HP:0000822", + "label": "PhenotypicFeature", + "name": "Hypertension" + }, + { + "id": "MESH:D006333", + "label": "Disease", + "name": "Congestive heart failure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09477#BE0000221", + "https://en.wikipedia.org/wiki/Heart_failure" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB02701_MESH_D010383_1", + "disease": "Pellagra", + "disease_mesh": "MESH:D010383", + "drug": "nicotinamide", + "drug_mesh": "MESH:D009536", + "drugbank": "DB:DB02701" + }, + "links": [ + { + "key": "correlated with", + "source": "MESH:D009536", + "target": "CHEBI:15940" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:15940", + "target": "HP:0100497" + }, + { + "key": "positively correlated with", + "source": "HP:0100497", + "target": "MESH:D010383" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009536", + "label": "Drug", + "name": "nicotinamide" + }, + { + "id": "CHEBI:15940", + "label": "ChemicalSubstance", + "name": "nicotinic acid" + }, + { + "id": "HP:0100497", + "label": "PhenotypicFeature", + "name": "Vitamin B3 deficiency" + }, + { + "id": "MESH:D010383", + "label": "Disease", + "name": "Pellagra" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Nicotinamide", + "https://en.wikipedia.org/wiki/Pellagra#Treatment" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB02701_MESH_D000152_1", + "disease": "Acne vulgaris", + "disease_mesh": "MESH:D000152", + "drug": "nicotinamide", + "drug_mesh": "MESH:D009536", + "drugbank": "DB:DB02701" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D009536", + "target": "reactome:R-HSA-181438" + }, + { + "key": "part of", + "source": "reactome:R-HSA-181438", + "target": "GO:0006954" + }, + { + "key": "caused by", + "source": "GO:0006954", + "target": "taxonomy:1747" + }, + { + "key": "positively correlated with", + "source": "taxonomy:1747", + "target": "MESH:D000152" + }, + { + "key": "decreases abundance of", + "source": "MESH:D009536", + "target": "UBERON:0001866" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001866", + "target": "HP:0025249" + }, + { + "key": "positively correlated with", + "source": "HP:0025249", + "target": "MESH:D000152" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009536", + "label": "Drug", + "name": "nicotinamide" + }, + { + "id": "UBERON:0001866", + "label": "GrossAnatomicalStructure", + "name": "sebum" + }, + { + "id": "HP:0025249", + "label": "PhenotypicFeature", + "name": "Comedo" + }, + { + "id": "reactome:R-HSA-181438", + "label": "Pathway", + "name": "Toll Like Receptor 2 (TLR2) Cascade" + }, + { + "id": "taxonomy:1747", + "label": "OrganismTaxon", + "name": "Cutibacterium acnes" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Nicotinamide#Acne" + ] + }, + { + "comment": "Muscarinic receptor antagonists (also known as anticholinergics) seem to be used in patients with Schizophrenia to alleviate motor side effects caused by first-generation antipsychotics. However these antagonists do seem to lead to cognitive dysfunction in healthy controls. So whether these muscarinic receptors should be positively or negatively regulated in schizophrenia is a matter of debate (see https://www.nature.com/articles/4001924 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3726271/). In addition, some suggest that that schizophrenia involves an overactivation of cholinergic neurons, which could provide cholinergic input to dopaminergic neurons. The dopamine neurons are located in the mesolimbic dopaminergic system (BTO:0005591), which is a component pathway of the medial forebrain bundle (UBERON:0001910). See https://en.wikipedia.org/wiki/Medial_forebrain_bundle#Anatomy for more details.", + "directed": true, + "graph": { + "_id": "DB01239_MESH_D012559_1", + "disease": "Schizophrenia", + "disease_mesh": "MESH:D012559", + "drug": "chlorprothixene", + "drug_mesh": "MESH:D002749", + "drugbank": "DB:DB01239" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D002749", + "target": "InterPro:IPR000995" + }, + { + "key": "decreases activity of", + "source": "MESH:D002749", + "target": "InterPro:IPR000929" + }, + { + "key": "decreases activity of", + "source": "MESH:D002749", + "target": "InterPro:IPR002231" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR000995", + "target": "GO:0007274" + }, + { + "key": "positively correlated with", + "source": "GO:0007274", + "target": "HP:0011442" + }, + { + "key": "manifestation of", + "source": "HP:0011442", + "target": "MESH:D012559" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR002231", + "target": "GO:0014046" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR000995", + "target": "GO:0007213" + }, + { + "key": "positively correlated with", + "source": "GO:0007213", + "target": "GO:0014046" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR000929", + "target": "GO:0014046" + }, + { + "key": "positively correlated with", + "source": "GO:0014046", + "target": "MESH:D012559" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002749", + "label": "Drug", + "name": "chlorprothixene" + }, + { + "id": "InterPro:IPR000995", + "label": "GeneFamily", + "name": "Muscarinic acetylcholine receptor family" + }, + { + "id": "InterPro:IPR002231", + "label": "GeneFamily", + "name": "5-hydroxytryptamine receptor family" + }, + { + "id": "InterPro:IPR000929", + "label": "GeneFamily", + "name": "Dopamine receptor family" + }, + { + "id": "GO:0014046", + "label": "BiologicalProcess", + "name": "dopamine secretion" + }, + { + "id": "GO:0007274", + "label": "BiologicalProcess", + "name": "neuromuscular synaptic transmission" + }, + { + "id": "GO:0007213", + "label": "BiologicalProcess", + "name": "G protein-coupled acetylcholine receptor signaling pathway" + }, + { + "id": "HP:0011442", + "label": "PhenotypicFeature", + "name": "Abnormal central motor function" + }, + { + "id": "MESH:D012559", + "label": "Disease", + "name": "Schizophrenia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01239#mechanism-of-action", + "https://go.drugbank.com/drugs/DB01239#BE0000092", + "https://www.targetvalidation.org/summary?drug=CHEMBL908", + "https://en.wikipedia.org/wiki/Antipsychotic#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Mesolimbic_pathway#Relation_to_neurological_and_psychological_disorders", + "https://en.wikipedia.org/wiki/Schizophrenia#Medication" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB02701_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MESH:D010437", + "drug": "ecabet", + "drug_mesh": "MESH:C061681", + "drugbank": "DB:DB02701" + }, + "links": [ + { + "key": "molecularly interacts with", + "source": "MESH:C061681", + "target": "MESH:C047874" + }, + { + "key": "located in", + "source": "MESH:C047874", + "target": "MESH:D005753" + }, + { + "key": "produces", + "source": "MESH:D005753", + "target": "UBERON:0000912" + }, + { + "key": "negatively correlated with", + "source": "UBERON:0000912", + "target": "MESH:D010437" + }, + { + "key": "disrupts", + "source": "MESH:C061681", + "target": "CHEBI:16412" + }, + { + "key": "positively regulates", + "source": "CHEBI:16412", + "target": "reactome:R-HSA-166016" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-166016", + "target": "GO:0006954" + }, + { + "key": "located in", + "source": "GO:0006954", + "target": "UBERON:0001276" + }, + { + "key": "location of", + "source": "UBERON:0001276", + "target": "MESH:D010437" + }, + { + "key": "negatively regulates", + "source": "MESH:C061681", + "target": "InterPro:IPR017950" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR017950", + "target": "GO:0009039" + }, + { + "key": "in taxon", + "source": "GO:0009039", + "target": "taxonomy:210" + }, + { + "key": "causes", + "source": "taxonomy:210", + "target": "MESH:D010437" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C061681", + "label": "Drug", + "name": "ecabet" + }, + { + "id": "CHEBI:16412", + "label": "ChemicalSubstance", + "name": "lipopolysaccharide" + }, + { + "id": "reactome:R-HSA-166016", + "label": "Pathway", + "name": "Toll Like Receptor 4 (TLR4) Cascade" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "UBERON:0001276", + "label": "GrossAnatomicalStructure", + "name": "epithelium of stomach" + }, + { + "id": "InterPro:IPR017950", + "label": "GeneFamily", + "name": "Urease active site" + }, + { + "id": "GO:0009039", + "label": "MolecularActivity", + "name": "urease activity" + }, + { + "id": "taxonomy:210", + "label": "OrganismTaxon", + "name": "Helicobacter pylori" + }, + { + "id": "MESH:C047874", + "label": "GeneFamily", + "name": "gastric mucus glycoproteins" + }, + { + "id": "UBERON:0000912", + "label": "GrossAnatomicalStructure", + "name": "Mucus" + }, + { + "id": "MESH:D005753", + "label": "GrossAnatomicalStructure", + "name": "Gastric Mucosa" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB05265#mechanism-of-action", + "https://en.wikipedia.org/wiki/Peptic_ulcer_disease#H._pylori", + "https://drugs.ncats.io/drug/2K02669KW" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00880_MESH_D004487_1", + "disease": "Edema", + "disease_mesh": "MESH:D004487", + "drug": "chlorothiazide", + "drug_mesh": "MESH:D002740", + "drugbank": "DB:DB00880" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D002740", + 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"name": "Edema" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00880#BE0000419", + "https://en.wikipedia.org/wiki/Diuretic#Thiazides", + "https://en.wikipedia.org/wiki/Thiazide" + ] + }, + { + "comment": "The hypotensive effects of chlorothiazide and other thiazides are not necessarily due to their diuretic activity (https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2904515/#S1title). The exact mechanism is yet not fully understood.", + "directed": true, + "graph": { + "_id": "DB00880_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MESH:D006973", + "drug": "chlorothiazide", + "drug_mesh": "MESH:D002740", + "drugbank": "DB:DB00880" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D002740", + "target": "UniProt:P55017" + }, + { + "key": "positively regulates", + "source": "UniProt:P55017", + "target": "GO:0070294" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": "GO:0003092", + "target": "HP:0033533" + }, + { + "key": "positively correlated with", + "source": "HP:0033533", + "target": "HP:0032263" + }, + { + "key": "decreases activity of", + "source": "MESH:D002740", + "target": "UniProt:P00918" + }, + { + "key": "positively regulates", + "source": "UniProt:P00918", + "target": "GO:0038166" + }, + { + "key": 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"id": "HP:0033533", + "label": "PhenotypicFeature", + "name": "Increased cardiac output" + }, + { + "id": "UniProt:Q12791", + "label": "Protein", + "name": "Calcium-activated potassium channel subunit alpha-1" + }, + { + "id": "UniProt:P00918", + "label": "Protein", + "name": "Carbonic anhydrase 2" + }, + { + "id": "GO:0060087", + "label": "BiologicalProcess", + "name": "relaxation of vascular associated smooth muscle" + }, + { + "id": "GO:0038166", + "label": "BiologicalProcess", + "name": "angiotensin-activated signaling pathway" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0032263", + "label": "PhenotypicFeature", + "name": "Increased blood pressure" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00880#BE0000322", + "https://go.drugbank.com/drugs/DB00880#BE0000419", + 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"https://en.wikipedia.org/wiki/Methylphenidate#Pharmacodynamics", + "https://www.targetvalidation.org/summary?drug=CHEMBL796" + ] + }, + { + "comment": "This drug may be able to bind to UniProt:P08908 but its pharmacological activity (agonism vs. antagonism) is not known (https://go.drugbank.com/drugs/DB00422#BE0000291).", + "directed": true, + "graph": { + "_id": "DB00422_MESH_D009290_1", + "disease": "Narcolepsy", + "disease_mesh": "MESH:D009290", + "drug": "methylphenidate", + "drug_mesh": "MESH:D008774", + "drugbank": "DB:DB00422" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D008774", + "target": "UniProt:Q01959" + }, + { + "key": "decreases activity of", + "source": "MESH:D008774", + "target": "UniProt:P23975" + }, + { + "key": "positively regulates", + "source": "UniProt:Q01959", + "target": "GO:0090494" + }, + { + "key": "positively regulates", + "source": "UniProt:P23975", + "target": "GO:0051620" + }, + { + "key": "positively correlated with", + 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"https://en.wikipedia.org/wiki/Narcolepsy#Treatment" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00724_MESH_D014860_1", + "disease": "Verruca", + "disease_mesh": "MESH:D014860", + "drug": "imiquimod", + "drug_mesh": "MESH:C056493", + "drugbank": "DB:DB00724" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C056493", + "target": "UniProt:Q9NYK1" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032609" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032635" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032637" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032606" + }, + { + "key": "part of", + "source": "GO:0032609", + "target": "GO:0051607" + }, + { + "key": "part of", + "source": "GO:0032635", + "target": "GO:0051607" + }, + { + "key": "part of", + "source": "GO:0032637", + "target": 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+ }, + { + "id": "GO:0032637", + "label": "BiologicalProcess", + "name": "interleukin-8 production" + }, + { + "id": "GO:0032635", + "label": "BiologicalProcess", + "name": "interleukin-6 production" + }, + { + "id": "GO:0051607", + "label": "BiologicalProcess", + "name": "defense response to virus" + }, + { + "id": "taxonomy:10566", + "label": "OrganismTaxon", + "name": "Human papillomavirus" + }, + { + "id": "MESH:D003218", + "label": "Disease", + "name": "Condyloma acuminatum" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00724#BE0000155", + "https://en.wikipedia.org/wiki/Imiquimod#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Genital_wart#Topical_agents" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00724_MESH_D055623_1", + "disease": "Actinic keratosis", + "disease_mesh": "MESH:D055623", + "drug": "imiquimod", + "drug_mesh": "MESH:C056493", + "drugbank": "DB:DB00724" + }, + "links": [ + { + "key": "increases activity of", + "source": 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"https://en.wikipedia.org/wiki/Actinic_keratosis#Other_risk_factors", + "https://en.wikipedia.org/wiki/Actinic_keratosis#Medication" + ] + }, + { + "comment": "This drug can also inhbit human proteins and affect with the mammalian cell division/replication, which make them an attractive antitumour agent (https://pubmed.ncbi.nlm.nih.gov/11102564/).", + "directed": true, + "graph": { + "_id": "DB01179_MESH_D003218_1", + "disease": "Condyloma acuminatum", + "disease_mesh": "MESH:D003218", + "drug": "podophyllotoxin", + "drug_mesh": "MESH:D011034", + "drugbank": "DB:DB01179" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D011034", + "target": "UniProt:P03120" + }, + { + "key": "positively regulates", + "source": "UniProt:P03120", + "target": "GO:0039693" + }, + { + "key": "in taxon", + "source": "GO:0039693", + "target": "taxonomy:10566" + }, + { + "key": "causes", + "source": "taxonomy:10566", + "target": "MESH:D003218" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011034", + "label": "Drug", + "name": "podophyllotoxin" + }, + { + "id": "UniProt:P03120", + "label": "Protein", + "name": "Regulatory protein E2" + }, + { + "id": "GO:0039693", + "label": "BiologicalProcess", + "name": "viral DNA genome replication" + }, + { + "id": "taxonomy:10566", + "label": "OrganismTaxon", + "name": "Human papillomavirus" + }, + { + "id": "MESH:D003218", + "label": "Disease", + "name": "Condyloma acuminatum" + } + ], + "reference": [ + "https://drugcentral.org/drugcard/3481?q=Podofilox" + ] + }, + { + "comment": "A right balance needs to be struck for normal bone formation, which involved bone resorption, the breaking down of bone tissue. This drug is actually a portion of the physiologically procuded hormone, PTH, which does increase bone resorption. So the right amount of drug (and frequency) is needed to be achieved to have a net effect of stimulating new bone formation therefore preventing osteoporosis.", + "directed": true, + "graph": { + "_id": "DB06285_MESH_D015663_1", + "disease": "Postmenopausal osteoporosis", + "disease_mesh": "MESH:D015663", + "drug": "teriparatide", + "drug_mesh": "MESH:D019379", + "drugbank": "DB:DB06285" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D019379", + "target": "UniProt:Q03431" + }, + { + "key": "positively regulates", + "source": "UniProt:Q03431", + "target": "GO:0004991" + }, + { + "key": "positively correlated with", + "source": "GO:0004991", + "target": "GO:0001503" + }, + { + "key": "positively correlated with", + "source": "GO:0004991", + "target": "GO:0002076" + }, + { + "key": "positively correlated with", + "source": "GO:0004991", + "target": "GO:0002062" + }, + { + "key": "positively correlated with", + "source": "GO:0004991", + "target": "GO:0002076" + }, + { + "key": "negatively correlated with", + "source": "GO:0001503", + "target": "HP:0004349" + }, + { + "key": "negatively correlated with", + "source": "GO:0002076", + "target": "HP:0004349" + }, + { + "key": "negatively correlated with", + "source": "GO:0002062", + "target": "HP:0004349" + }, + { + "key": "negatively correlated with", + "source": "GO:0002076", + "target": "HP:0004349" + }, + { + "key": "positively correlated with", + "source": "HP:0004349", + "target": "MESH:D015663" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D019379", + "label": "Drug", + "name": "teriparatide" + }, + { + "id": "UniProt:Q03431", + "label": "Protein", + "name": "Parathyroid hormone/parathyroid hormone-related peptide receptor" + }, + { + "id": "GO:0004991", + "label": "MolecularActivity", + "name": "parathyroid hormone receptor activity" + }, + { + "id": "GO:0001503", + "label": "BiologicalProcess", + "name": "ossification" + }, + { + "id": "GO:0002076", + "label": "BiologicalProcess", + "name": "osteoblast development" + }, + { + "id": "GO:0002062", + "label": "BiologicalProcess", + "name": "chondrocyte differentiation" + }, + { + "id": "HP:0004349", + "label": "Disease", + "name": "Reduced bone mineral density" + }, + { + "id": "MESH:D015663", + "label": "Disease", + "name": "Postmenopausal osteoporosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06285#mechanism-of-action", + "https://en.wikipedia.org/wiki/Teriparatide#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09030_MESH_D020521_1", + "disease": "Cerebrovascular accident", + "disease_mesh": "MESH:D020521", + "drug": "vorapaxar", + "drug_mesh": "MESH:C530299", + "drugbank": "DB:DB09030" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C530299", + "target": "UniProt:P25116" + }, + { + "key": "positively regulates", + "source": "UniProt:P25116", + "target": "GO:0015057" + }, + { + "key": "participates in", + "source": "GO:0015057", + "target": "reactome:R-HSA-140877" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-140877", + "target": "GO:0070527" + }, + { + "key": "positively correlated with", + "source": "GO:0070527", + "target": "MESH:D013927" + }, + { + "key": "positively correlated with", + "source": "MESH:D013927", + "target": "MESH:D020521" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C530299", + "label": "Drug", + "name": "vorapaxar" + }, + { + "id": "UniProt:P25116", + "label": "Protein", + "name": "Proteinase-activated receptor 1" + }, + { + "id": "GO:0015057", + "label": "MolecularActivity", + "name": "thrombin-activated receptor activity" + }, + { + "id": "reactome:R-HSA-140877", + "label": "Pathway", + "name": "Formation of Fibrin Clot (Clotting Cascade)" + }, + { + "id": "GO:0070527", + "label": "BiologicalProcess", + "name": "platelet aggregation" + }, + { + "id": "MESH:D013927", + "label": "PhenotypicFeature", + "name": "Thrombosis" + }, + { + "id": "MESH:D020521", + "label": "Disease", + "name": "Cerebrovascular accident" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09030#mechanism-of-action", + "https://en.wikipedia.org/wiki/Vorapaxar#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB11792_MESH_D007172_1", + "disease": "Impotence", + "disease_mesh": "MESH:D007172", + "drug": "mirodenafil", + "drug_mesh": "MESH:C528396", + "drugbank": "DB:DB11792" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C528396", + "target": "UniProt:O76074" + }, + { + "key": "positively regulates", + "source": "UniProt:O76074", + "target": "GO:0046069" + }, + { + "key": "decreases abundance of", + "source": "GO:0046069", + "target": "CHEBI:16356" + }, + { + "key": "positively correlated with", + "source": "CHEBI:16356", + "target": "GO:0007263" + }, + { + "key": "positively correlated with", + "source": "GO:0007263", + "target": "GO:0044557" + }, + { + "key": "negatively correlated with", + "source": "GO:0044557", + "target": "HP:0100639" + }, + { + "key": "manifestation of", + "source": "HP:0100639", + "target": "MESH:D007172" + } + ], + "multigraph": true, + "nodes": [ + { + "all_id": [ + "MESH:C518762" + ], + "id": "MESH:C528396", + "label": "Drug", + "name": "mirodenafil" + }, + { + "id": "UniProt:O76074", + "label": "Protein", + "name": "cGMP-specific 3',5'-cyclic phosphodiesterase" + }, + { + "id": "GO:0046069", + "label": "BiologicalProcess", + "name": "cGMP catabolic process" + }, + { + "id": "CHEBI:16356", + "label": "ChemicalSubstance", + "name": "3',5'-cyclic GMP" + }, + { + "id": "GO:0007263", + "label": "BiologicalProcess", + "name": "nitric oxide mediated signal transduction" + }, + { + "id": "GO:0044557", + "label": "BiologicalProcess", + "name": "relaxation of smooth muscle" + }, + { + "id": "HP:0100639", + "label": "PhenotypicFeature", + "name": "Erectile dysfunction" + }, + { + "id": "MESH:D007172", + "label": "Disease", + "name": "Impotence" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Mirodenafil", + "https://en.wikipedia.org/wiki/PDE5_inhibitor#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Nitric_oxide#Biological_functions" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB12214_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MESH:D003924", + "drug": "luseogliflozin", + "drug_mesh": "MESH:C549343", + "drugbank": "DB:DB12214" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C549343", + "target": "UniProt:P13866" + }, + { + "key": "negatively regulates", + "source": "MESH:C549343", + "target": "UniProt:Q8WWX8" + }, + { + "key": "positively regulates", + "source": "UniProt:P13866", + "target": "GO:0098708" + }, + { + "key": "positively regulates", + "source": "UniProt:Q8WWX8", + "target": "GO:1904659" + }, + { + "key": "positively correlated with", + "source": "GO:0098708", + "target": "GO:0035623" + }, + { + "key": "positively correlated with", + "source": "GO:1904659", + "target": "GO:0035623" + }, + { + "key": "positively correlated with", + "source": "GO:0035623", + "target": "HP:0003074" + }, + { + "key": "manifestation of", + "source": "HP:0003074", + "target": "MESH:D003924" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C549343", + "label": "Drug", + "name": "luseogliflozin" + }, + { + "id": "UniProt:P13866", + "label": "Protein", + "name": "Sodium/glucose cotransporter 1" + }, + { + "id": "UniProt:Q8WWX8", + "label": "Protein", + "name": "Sodium/myo-inositol cotransporter 2" + }, + { + "id": "GO:0098708", + "label": "BiologicalProcess", + "name": "glucose import across plasma membrane" + }, + { + "id": "GO:1904659", + "label": "BiologicalProcess", + "name": "glucose transmembrane transport" + }, + { + "id": "GO:0035623", + "label": "BiologicalProcess", + "name": "renal glucose absorption" + }, + { + "id": "HP:0003074", + "label": "PhenotypicFeature", + "name": "Hyperglycemia" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Luseogliflozin", + "https://en.wikipedia.org/wiki/SGLT2_inhibitor" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01003_MESH_D065631_1", + "disease": "Allergic rhinitis", + "disease_mesh": "MESH:D065631", + "drug": "cromoglicic acid", + "drug_mesh": "MESH:D004205", + "drugbank": "DB:DB01003" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004205", + "target": "UniProt:P25815" + }, + { + "key": "positively correlated with", + "source": "UniProt:P25815", + "target": "GO:0043303" + }, + { + "key": "positively correlated with", + "source": "UniProt:P25815", + "target": "GO:0043308" + }, + { + "key": "caused by", + "source": "GO:0043303", + "target": "reactome:R-HSA-2454202" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002441" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002540" + }, + { + "key": "positively correlated with", + "source": "GO:0043308", + "target": "GO:0002540" + }, + { + "key": "positively correlated with", + "source": "GO:0002441", + "target": "MESH:D065631" + }, + { + "key": "positively correlated with", + "source": "GO:0002540", + "target": "MESH:D065631" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004205", + "label": "Drug", + "name": "cromoglicic acid" + }, + { + "id": "UniProt:P25815", + "label": "Protein", + "name": "Protein S100-P" + }, + { + "id": "GO:0043303", + "label": "BiologicalProcess", + "name": "mast cell degranulation" + }, + { + "id": "GO:0043308", + "label": "BiologicalProcess", + "name": "eosinophil degranulation" + }, + { + "id": "reactome:R-HSA-2454202", + "label": "Pathway", + "name": "Allergen dependent IgE bound FCERI aggregation" + }, + { + "id": "GO:0002540", + "label": "BiologicalProcess", + "name": "leukotriene production involved in inflammatory response" + }, + { + "id": "GO:0002441", + "label": "BiologicalProcess", + "name": "histamine secretion involved in inflammatory response" + }, + { + "id": "MESH:D065631", + "label": "Disease", + "name": "Allergic rhinitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01003#mechanism-of-action", + "https://en.wikipedia.org/wiki/Mast_cell_stabilizer", + "https://pubmed.ncbi.nlm.nih.gov/25450399/", + "https://pubchem.ncbi.nlm.nih.gov/compound/2882#section=Pharmacology-and-Biochemistry", + "https://pubmed.ncbi.nlm.nih.gov/12645002/", + "https://en.wikipedia.org/wiki/RAGE_(receptor)#RAGE_and_disease", + "https://en.wikipedia.org/wiki/S100P#Interactions" + ] + }, + { + "comment": "This condition does not seem to be a true ocular allergic reaction, rather caused by repeated mechanical irritation of the conjunctiva (https://en.wikipedia.org/wiki/Allergic_conjunctivitis#Giant_papillary_conjunctivitis). So the treatment with cromoglicic acid may not be needed/useful at all but interruption of contact lens wearing.", + "directed": true, + "graph": { + "_id": "DB01003_MESH_D003233_1", + "disease": "Giant papillary conjunctivitis", + "disease_mesh": "MESH:D003233", + "drug": "cromoglicic acid", + "drug_mesh": "MESH:D004205", + "drugbank": "DB:DB01003" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004205", + "target": "UniProt:P25815" + }, + { + "key": "positively correlated with", + "source": "UniProt:P25815", + "target": "GO:0043303" + }, + { + "key": "positively correlated with", + "source": "UniProt:P25815", + "target": "GO:0043308" + }, + { + "key": "caused by", + "source": "GO:0043303", + "target": "reactome:R-HSA-2454202" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002441" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002540" + }, + { + "key": "positively correlated with", + "source": "GO:0043308", + "target": "GO:0002540" + }, + { + "key": "positively correlated with", + "source": "GO:0002441", + "target": "MESH:D003233" + }, + { + "key": "positively correlated with", + "source": "GO:0002540", + "target": "MESH:D003233" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004205", + "label": "Drug", + "name": "cromoglicic acid" + }, + { + "id": "UniProt:P25815", + "label": "Protein", + "name": "Protein S100-P" + }, + { + "id": "GO:0043303", + "label": "BiologicalProcess", + "name": "mast cell degranulation" + }, + { + "id": "GO:0043308", + "label": "BiologicalProcess", + "name": "eosinophil degranulation" + }, + { + "id": "GO:0002540", + "label": "BiologicalProcess", + "name": "leukotriene production involved in inflammatory response" + }, + { + "id": "reactome:R-HSA-2454202", + "label": "Pathway", + "name": "Allergen dependent IgE bound FCERI aggregation" + }, + { + "id": "GO:0002441", + "label": "BiologicalProcess", + "name": "histamine secretion involved in inflammatory response" + }, + { + "id": "MESH:D003233", + "label": "Disease", + "name": "Giant papillary conjunctivitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01003#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/25450399/", + "https://pubchem.ncbi.nlm.nih.gov/compound/2882#section=Pharmacology-and-Biochemistry", + "https://pubmed.ncbi.nlm.nih.gov/12645002/", + "https://en.wikipedia.org/wiki/RAGE_(receptor)#RAGE_and_disease", + "https://en.wikipedia.org/wiki/Mast_cell_stabilizer", + "https://en.wikipedia.org/wiki/S100P#Interactions" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01003_MESH_D034721_1", + "disease": "Systemic mast cell disease", + "disease_mesh": "MESH:D034721", + "drug": "cromoglicic acid", + "drug_mesh": "MESH:D004205", + "drugbank": "DB:DB01003" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004205", + "target": "UniProt:P25815" + }, + { + "key": "positively correlated with", + "source": "UniProt:P25815", + "target": "GO:0043303" + }, + { + "key": "caused by", + "source": "GO:0043303", + "target": "reactome:R-HSA-2454202" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002441" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002540" + }, + { + "key": "positively correlated with", + "source": "GO:0002441", + "target": "MESH:D034721" + }, + { + "key": "positively correlated with", + "source": "GO:0002540", + "target": "MESH:D034721" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004205", + "label": "Drug", + "name": "cromoglicic acid" + }, + { + "id": "UniProt:P25815", + "label": "Protein", + "name": "Protein S100-P" + }, + { + "id": "GO:0043303", + "label": "BiologicalProcess", + "name": "mast cell degranulation" + }, + { + "id": "reactome:R-HSA-2454202", + "label": "Pathway", + "name": "Allergen dependent IgE bound FCERI aggregation" + }, + { + "id": "GO:0002540", + "label": "BiologicalProcess", + "name": "leukotriene production involved in inflammatory response" + }, + { + "id": "GO:0002441", + "label": "BiologicalProcess", + "name": "histamine secretion involved in inflammatory response" + }, + { + "id": "MESH:D034721", + "label": "Disease", + "name": "Systemic mast cell disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01003#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/25450399/", + "https://pubchem.ncbi.nlm.nih.gov/compound/2882#section=Pharmacology-and-Biochemistry", + "https://pubmed.ncbi.nlm.nih.gov/12645002/", + "https://en.wikipedia.org/wiki/RAGE_(receptor)#RAGE_and_disease", + "https://en.wikipedia.org/wiki/S100P#Interactions", + "https://en.wikipedia.org/wiki/Mastocytosis#Anti-mediator_therapy", + "https://en.wikipedia.org/wiki/Mast_cell_stabilizer" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01003_MESH_D001249_1", + "disease": "Asthma", + "disease_mesh": "MESH:D001249", + "drug": "cromoglicic acid", + "drug_mesh": "MESH:D004205", + "drugbank": "DB:DB01003" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004205", + "target": "UniProt:P25815" + }, + { + "key": "positively correlated with", + "source": "UniProt:P25815", + "target": "GO:0043303" + }, + { + "key": "caused by", + "source": "GO:0043303", + "target": "reactome:R-HSA-2454202" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002441" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002540" + }, + { + "key": "positively correlated with", + "source": "GO:0002441", + "target": "MESH:D001249" + }, + { + "key": "positively correlated with", + "source": "GO:0002540", + "target": "MESH:D001249" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004205", + "label": "Drug", + "name": "cromoglicic acid" + }, + { + "id": "UniProt:P25815", + "label": "Protein", + "name": "Protein S100-P" + }, + { + "id": "GO:0043303", + "label": "BiologicalProcess", + "name": "mast cell degranulation" + }, + { + "id": "reactome:R-HSA-2454202", + "label": "Pathway", + "name": "Allergen dependent IgE bound FCERI aggregation" + }, + { + "id": "GO:0002540", + "label": "BiologicalProcess", + "name": "leukotriene production involved in inflammatory response" + }, + { + "id": "GO:0002441", + "label": "BiologicalProcess", + "name": "histamine secretion involved in inflammatory response" + }, + { + "id": "MESH:D001249", + "label": "Disease", + "name": "Asthma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01003#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/25450399/", + "https://pubchem.ncbi.nlm.nih.gov/compound/2882#section=Pharmacology-and-Biochemistry", + "https://pubmed.ncbi.nlm.nih.gov/12645002/", + "https://en.wikipedia.org/wiki/RAGE_(receptor)#RAGE_and_disease", + "https://en.wikipedia.org/wiki/S100P#Interactions", + "https://en.wikipedia.org/wiki/Mastocytosis#Anti-mediator_therapy", + "https://en.wikipedia.org/wiki/Mast_cell_stabilizer", + "https://en.wikipedia.org/wiki/Asthma#Management" + ] + }, + { + "comment": "The drug, tofogliflozin is under investigational.", + "directed": true, + "graph": { + "_id": "DB11824_MESH_D003924_1", + "disease": "Diabetes Mellitus, Type 2", + "disease_mesh": "MESH:D003924", + "drug": "Tofogliflozin", + "drug_mesh": "MESH:C575086", + "drugbank": "DB:DB11824" + }, + "links": [ + { + "key": "decreases activity of", + "source": "DB:DB11824", + "target": "UniProt:P31639" + }, + { + "key": "positively regulates", + "source": "UniProt:P31639", + "target": "GO:0035623" + }, + { + "key": "correlated with", + "source": "GO:0035623", + "target": "MESH:D001786" + }, + { + "key": "positively correlated with", + "source": "MESH:D001786", + "target": "MESH:D003924" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB11824", + "label": "Drug", + "name": "Tofogliflozin" + }, + { + "id": "UniProt:P31639", + "label": "Protein", + "name": "Sodium/glucose cotransporter 2" + }, + { + "id": "GO:0035623", + "label": "BiologicalProcess", + "name": "renal glucose absorption" + }, + { + "id": "MESH:D001786", + "label": "ChemicalSubstance", + "name": "Blood Glucose" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes Mellitus, Type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB11824#mechanism-of-action", + "https://drugs.ncats.io/substances?q=%22TOFOGLIFLOZIN%22", + "https://en.wikipedia.org/wiki/Tofogliflozin", + "https://www.uniprot.org/uniprot/P31639#function", + "https://en.wikipedia.org/wiki/Type_2_diabetes" + ] + }, + { + "comment": "Simvastatin is a prodrug in which the 6-membered lactone ring of simvastatin is hydrolyzed to generate the simvastatin hydroxy acid (beta,delta-dihydroxy acid), an active metabolite in the body.", + "directed": true, + "graph": { + "_id": "DB00641_MESH_D006937_1", + "disease": "Hypercholesterolemia", + "disease_mesh": "MESH:D006937", + "drug": "Simvastatin", + "drug_mesh": "MESH:D019821", + "drugbank": "DB:DB00641" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D019821", + "target": "CHEBI:169041" + }, + { + "key": "decreases activity of", + "source": "CHEBI:169041", + "target": "UniProt:P04035" + }, + { + "key": "positively regulates", + "source": "UniProt:P04035", + "target": "GO:0006695" + }, + { + "key": "increases abundance of", + "source": "GO:0006695", + "target": "MESH:D002784" + }, + { + "key": "positively correlated with", + "source": "MESH:D002784", + "target": "MESH:D006937" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D019821", + "label": "Drug", + "name": "Simvastatin" + }, + { + "id": "CHEBI:169041", + "label": "ChemicalSubstance", + "name": "simvastatin hydroxy acid" + }, + { + "id": 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disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00270#BE0000864" + ] + }, + { + "comment": "There is an evidence indicating that levonorgestrel activates progesteron receptor https://pubmed.ncbi.nlm.nih.gov/16112947/", + "directed": true, + "graph": { + "_id": "DB00367_MESH_D008595_2", + "disease": "Menorrhagia", + "disease_mesh": "MESH:D008595", + "drug": "Levonorgestrel", + "drug_mesh": "MESH:D016912", + "drugbank": "DB:DB00367" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D016912", + "target": "UniProt:P06401" + }, + { + "key": "negatively regulates", + "source": "UniProt:P06401", + "target": "GO:0050673" + }, + { + "key": "positively correlated with", + "source": "GO:0050673", + "target": "MESH:D008595" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D016912", + "label": "Drug", + "name": "Levonorgestrel" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "GO:0050673", + "label": "BiologicalProcess", + "name": "Epithelial cell proliferation" + }, + { + "id": "MESH:D008595", + "label": "Disease", + "name": "Menorrhagia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00367#BE0000557", + "https://pubmed.ncbi.nlm.nih.gov/8671392/" + ] + }, + { + "comment": "Norgestrel is composed of a racemic mixture of two stereoisomers, dextronorgestrel and levonorgestrel. However, only the levorotary enantiomer (levonorgestrel) is biologically active. There is an evidence indicating that levonorgestrel activates progesteron receptor https://pubmed.ncbi.nlm.nih.gov/16112947/", + "directed": true, + "graph": { + "_id": "DB09389_MESH_D008595_1", + "disease": "Menorrhagia", + "disease_mesh": "MESH:D008595", + "drug": "Norgestrel", + "drug_mesh": "MESH:D009644", + "drugbank": "DB:DB09389" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D009644", + "target": "UniProt:P06401" + }, + { + "key": "negatively regulates", + "source": "UniProt:P06401", + "target": "GO:0050673" + }, + { + "key": "positively correlated with", + "source": "GO:0050673", + "target": "MESH:D008595" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009644", + "label": "Drug", + "name": "Norgestrel" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "GO:0050673", + "label": "BiologicalProcess", + "name": "Epithelial cell proliferation" + }, + { + "id": "MESH:D008595", + "label": "Disease", + "name": "Menorrhagia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00367#BE0000557", + "https://pubmed.ncbi.nlm.nih.gov/8671392/" + ] + }, + { + "comment": "Levonorgestrel is prescribed in combination with estradiol as a hormone therapy during menopause to prevent osteoporosis and in this case estradiol is the acive drug that prevents oseoporosis, while levonorgestrel is added for the protection of the endometrium", + "directed": true, + "graph": { + "_id": "DB00367_MESH_D015663_1", + "disease": "Postmenopausal osteoporosis", + "disease_mesh": "MESH:D015663", + "drug": "Levonorgestrel", + "drug_mesh": "MESH:D016912", + "drugbank": "DB:DB00367" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D016912", + "target": "MESH:D015663" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D016912", + "label": "Drug", + "name": "Levonorgestrel" + }, + { + "id": "MESH:D015663", + "label": "Disease", + "name": "Postmenopausal osteoporosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00367#BE0000557", + "https://en.wikipedia.org/wiki/Levonorgestrel#Hormone_therapy" + ] + }, + { + "comment": "Norgestrel is composed of a racemic mixture of two stereoisomers, dextronorgestrel and levonorgestrel. However, only the levorotary enantiomer (levonorgestrel) is biologically active. Norgestrel is prescribed in combination with estradiol as a hormone therapy during menopause to prevent osteoporosis and in this case estradiol is the acive drug that prevents oseoporosis, while norgestrel is added for the protection of the endometrium", + "directed": true, + "graph": { + "_id": "DB09389_MESH_D015663_1", + "disease": "Postmenopausal osteoporosis", + "disease_mesh": "MESH:D015663", + "drug": "Norgestrel", + "drug_mesh": "MESH:D009644", + "drugbank": "DB:DB09389" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D009644", + "target": "MESH:D015663" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009644", + "label": "Drug", + "name": "Norgestrel" + }, + { + "id": "MESH:D015663", + "label": "Disease", + "name": "Postmenopausal osteoporosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00367#BE0000557", + "https://en.wikipedia.org/wiki/Norgestrel#Medical_uses" + ] + }, + { + "comment": "Levonorgestrel is prescribed in combination with estradiol as a hormone therapy during menopause to prevent menopausal flushing and in this case estradiol is the acive drug, while levonorgestrel is added for the protection of the endometrium", + "directed": true, + "graph": { + "_id": "DB00367_MESH_D019584_1", + "disease": "Menopausal flushing", + "disease_mesh": "MESH:D019584", + "drug": "Levonorgestrel", + "drug_mesh": "MESH:D016912", + "drugbank": "DB:DB00367" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D016912", + "target": "MESH:D019584" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D016912", + "label": "Drug", + "name": "Levonorgestrel" + }, + { + "id": "MESH:D019584", + "label": "Disease", + "name": "Menopausal flushing" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00367#BE0000557", + "https://en.wikipedia.org/wiki/Levonorgestrel#Hormone_therapy" + ] + }, + { + "comment": "Norgestrel is prescribed in combination with estradiol as a hormone therapy during menopause to prevent menopausal flushing; in this drug combination estradiol is the acive drug, while norgestrel is added for the protection of the endometrium.", + "directed": true, + "graph": { + "_id": "DB09389_MESH_D019584_1", + "disease": "Menopausal flushing", + "disease_mesh": "MESH:D019584", + "drug": "Norgestrel", + "drug_mesh": "MESH:D009644", + "drugbank": "DB:DB09389" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D009644", + "target": "MESH:D019584" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009644", + "label": "Drug", + "name": "Norgestrel" + }, + { + "id": "MESH:D019584", + "label": "Disease", + "name": "Menopausal flushing" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00367#BE0000557", + "https://en.wikipedia.org/wiki/Norgestrel#Medical_uses" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00471_MESH_D065631_1", + "disease": "Allergic rhinitis", + "disease_mesh": "MESH:D065631", + "drug": "Montelukast", + "drug_mesh": "MESH:C093875", + "drugbank": "DB:DB00471" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C093875", + "target": "UniProt:Q9Y271" + }, + { + "key": "positively correlated with", + "source": "UniProt:Q9Y271", + "target": "MESH:D017998" + }, + { + "key": "positively regulates", + "source": "MESH:D017998", + "target": "GO:0070254" + }, + { + "key": "positively regulates", + "source": "MESH:D017998", + "target": "GO:0043117" + }, + { + "key": "positively regulates", + "source": "MESH:D017998", + "target": "GO:0006954" + }, + { + "key": "manifestation of", + "source": "GO:0070254", + "target": "MESH:D065631" + }, + { + "key": "manifestation of", + "source": "GO:0043117", + "target": "MESH:D065631" + }, + { + "key": "manifestation of", + "source": "GO:0006954", + "target": "MESH:D065631" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C093875", + "label": "Drug", + "name": "Montelukast" + }, + { + "id": "UniProt:Q9Y271", + "label": "Protein", + "name": "Cysteinyl 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"https://go.drugbank.com/drugs/DB00949#BE0000417", + "https://pubmed.ncbi.nlm.nih.gov/32197322/" + ] + }, + { + "comment": "The mechanism by which felbamate exerts its anticonvulsant activity is not fully known.", + "directed": true, + "graph": { + "_id": "DB00949_MESH_D004828_1", + "disease": "Simple partial seizure", + "disease_mesh": "MESH:D004828", + "drug": "Felbamate", + "drug_mesh": "MESH:C047360", + "drugbank": "DB:DB00949" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C047360", + "target": "UniProt:Q13224" + }, + { + "key": "decreases activity of", + "source": "MESH:C047360", + "target": "UniProt:Q12879" + }, + { + "key": "positively correlated with", + "source": "UniProt:Q13224", + "target": "HP:0001250" + }, + { + "key": "positively correlated with", + "source": "UniProt:Q12879", + "target": "HP:0001250" + }, + { + "key": "manifestation of", + "source": "HP:0001250", + "target": "MESH:D004828" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047360", + "label": "Drug", + "name": "Felbamate" + }, + { + "id": "UniProt:Q13224", + "label": "Protein", + "name": "Glutamate receptor ionotropic, NMDA 2B" + }, + { + "id": "UniProt:Q12879", + "label": "Protein", + "name": "Glutamate receptor ionotropic, NMDA" + }, + { + "id": "HP:0001250", + "label": "PhenotypicFeature", + "name": "Seizure" + }, + { + "id": "MESH:D004828", + "label": "Disease", + "name": "Simple partial seizure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00949#BE0000417", + "https://pubmed.ncbi.nlm.nih.gov/32197322/" + ] + }, + { + "comment": "The mechanism by which felbamate exerts its anticonvulsant activity is not fully known.", + "directed": true, + "graph": { + "_id": "DB00949_MESH_D065768_1", + "disease": "Lennox-Gastaut syndrome", + "disease_mesh": "MESH:D065768", + "drug": "Felbamate", + "drug_mesh": "MESH:C047360", + "drugbank": "DB:DB00949" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C047360", + 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true, + "graph": { + "_id": "DB04837_MESH_D003371_1", + "disease": "Cough", + "disease_mesh": "MESH:D003371", + "drug": "Clofedanol", + "drug_mesh": "MESH:C010432", + "drugbank": "DB:DB04837" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C010432", + "target": "GO:0060004" + }, + { + "key": "positively correlated with", + "source": "GO:0060004", + "target": "MESH:D003371" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C010432", + "label": "Drug", + "name": "Clofedanol" + }, + { + "id": "GO:0060004", + "label": "BiologicalProcess", + "name": "Reflex" + }, + { + "id": "MESH:D003371", + "label": "Disease", + "name": "Cough" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04837", + "https://pubchem.ncbi.nlm.nih.gov/compound/2795" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB04837_MESH_D012223_1", + "disease": "Vasomotor rhinitis", + "disease_mesh": "MESH:D012223", + "drug": "Clofedanol", + "drug_mesh": "MESH:C010432", + 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It is thought that brivaracetam binds to SV2A and causes the reduction in the rate of vesicle release including release of excitatory neurotransmitters.", + "directed": true, + "graph": { + "_id": "DB05541_MESH_D004828_1", + "disease": "Partial seizure", + "disease_mesh": "MESH:D004828", + "drug": "Brivaracetam", + "drug_mesh": "MESH:C482793", + "drugbank": "DB:DB05541" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C482793", + "target": "UniProt:Q7L0J3" + }, + { + "key": "negatively regulates", + "source": "MESH:C482793", + "target": "GO:0005248" + }, + { + "key": "participates in", + "source": "UniProt:Q7L0J3", + "target": "GO:0007269" + }, + { + "key": "positively correlated with", + "source": "GO:0005248", + "target": "HP:0001250" + }, + { + "key": "correlated with", + "source": "GO:0007269", + "target": "MESH:D004828" + }, + { + "key": "manifestation of", + "source": "HP:0001250", + "target": "MESH:D004828" + } + ], + "multigraph": true, + "nodes": [ + { 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Gram-negative examples of bacteria causing pneumonia are Haemophilus influenzae, Klebsiella pneumoniae and Escherichia coli.", + "directed": true, + "graph": { + "_id": "DB01137_MESH_D061387_1", + "disease": "Chlamydial pneumonia", + "disease_mesh": "MESH:D061387", + "drug": "levofloxacin", + "drug_mesh": "MESH:D064704", + "drugbank": "DB:DB01137" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D064704", + "target": "InterPro:IPR035516" + }, + { + "key": "negatively regulates", + "source": "MESH:D064704", + "target": "InterPro:IPR013760" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR035516", + "target": "GO:0006260" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR013760", + "target": "GO:0006260" + }, + { + "key": "in taxon", + "source": "GO:0006260", + "target": "taxonomy:83558" + }, + { + "key": "causes", + "source": "taxonomy:83558", + "target": "MESH:D061387" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D064704", + "label": "Drug", + "name": "levofloxacin" + }, + { + "id": "InterPro:IPR035516", + "label": "GeneFamily", + "name": "DNA gyrase/topoisomerase IV, subunit A, C-terminal" + }, + { + "id": "InterPro:IPR013760", + "label": "GeneFamily", + "name": "DNA topoisomerase, type IIA-like domain superfamily" + }, + { + "id": "GO:0006260", + "label": "BiologicalProcess", + "name": "Bacterial DNA replication" + }, + { + "id": "taxonomy:83558", + "label": "OrganismTaxon", + "name": "Chlamydia pneumoniae" + }, + { + "id": "MESH:D061387", + "label": "Disease", + "name": "Chlamydial pneumonia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01137#mechanism-of-action", + "https://en.wikipedia.org/wiki/Chlamydia#Infants", + "https://pubmed.ncbi.nlm.nih.gov/32809709/", + "https://en.wikipedia.org/wiki/Levofloxacin#Mechanism_of_action" + ] + }, + { + "comments": "Different bacterial species can cause pneumonia, the most frequent ones are Streptococcus pneumoniae,\u00a0Staphylococcus aureus, and\u00a0Bacillus anthracis, among the gram-positive types of bacteria. 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to Staphylococcus aureus" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01137#mechanism-of-action", + "https://en.wikipedia.org/wiki/Levofloxacin#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01137_MESH_D003234_1", + "disease": "Bacterial conjunctivitis", + "disease_mesh": "MESH:D003234", + "drug": "levofloxacin", + "drug_mesh": "MESH:D064704", + "drugbank": "DB:DB01137" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D064704", + "target": "InterPro:IPR035516" + }, + { + "key": "negatively regulates", + "source": "MESH:D064704", + "target": "InterPro:IPR013760" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR035516", + "target": "GO:0006260" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR013760", + "target": "GO:0006260" + }, + { + "key": "in taxon", + "source": "GO:0006260", + "target": "taxonomy:1279" + }, + { + "key": "causes", + "source": "taxonomy:1279", + "target": "MESH:D003234" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D064704", + "label": "Drug", + "name": "levofloxacin" + }, + { + "id": "InterPro:IPR035516", + "label": "GeneFamily", + "name": "DNA gyrase/topoisomerase IV, subunit A, C-terminal" + }, + { + "id": "InterPro:IPR013760", + "label": "GeneFamily", + "name": "DNA topoisomerase, type IIA-like domain superfamily" + }, + { + "id": "GO:0006260", + "label": "BiologicalProcess", + "name": "Bacterial DNA replication" + }, + { + "id": "taxonomy:1279", + "label": "OrganismTaxon", + "name": "Staphylococcus sp." + }, + { + "id": "MESH:D003234", + "label": "Disease", + "name": "Bacterial conjunctivitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01137#mechanism-of-action", + "https://en.wikipedia.org/wiki/Levofloxacin#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Conjunctivitis#Bacterial" + ] + }, + { + "comments": "Different bacterial species can cause pneumonia, the most frequent ones are Streptococcus pneumoniae,\u00a0Staphylococcus aureus, and\u00a0Bacillus anthracis, among the gram-positive types of bacteria. Gram-negative examples of bacteria causing pneumonia are Haemophilus influenzae, Klebsiella pneumoniae and Escherichia coli.", + "directed": true, + "graph": { + "_id": "DB01137_MESH_D003234_2", + "disease": "Pneumonia due to Mycoplasma pneumoniae", + "disease_mesh": "MESH:D003234", + "drug": "levofloxacin", + "drug_mesh": "MESH:D064704", + "drugbank": "DB:DB01137" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D064704", + "target": "InterPro:IPR035516" + }, + { + "key": "negatively regulates", + "source": "MESH:D064704", + "target": "InterPro:IPR013760" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR035516", + "target": "GO:0006260" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR013760", + "target": "GO:0006260" + }, + { + "key": "in taxon", + "source": "GO:0006260", + "target": "taxonomy:2104" + }, + { + "key": "causes", + "source": "taxonomy:2104", + "target": "MESH:D003234" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D064704", + "label": "Drug", + "name": "levofloxacin" + }, + { + "id": "InterPro:IPR035516", + "label": "GeneFamily", + "name": "DNA gyrase/topoisomerase IV, subunit A, C-terminal" + }, + { + "id": "InterPro:IPR013760", + "label": "GeneFamily", + "name": "DNA topoisomerase, type IIA-like domain superfamily" + }, + { + "id": "GO:0006260", + "label": "BiologicalProcess", + "name": "Bacterial DNA replication" + }, + { + "id": "taxonomy:2104", + "label": "OrganismTaxon", + "name": "Mycoplasma pneumoniae" + }, + { + "id": "MESH:D003234", + "label": "Disease", + "name": "Pneumonia due to Mycoplasma pneumoniae" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01137#mechanism-of-action", + "https://en.wikipedia.org/wiki/Levofloxacin#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Conjunctivitis#Bacterial" + ] + }, + { + "comment": "This drug is used in combination with dalfopristin. Both interfere with the bacterial protein synthesis, at different stages of the translation. Quinupristin inhibits the late phase of protein synthesis, whereas dalfopristin inhibits the early phase of protein synthesis in the bacterial ribosome. In combination, both drugs are more effective than each used individually (https://go.drugbank.com/drugs/DB01369#description).", + "directed": true, + "graph": { + "_id": "DB01369_MESH_D013290_1", + "disease": "Streptococcus pyogenes infection", + "disease_mesh": "MESH:D013290", + "drug": "quinupristin", + "drug_mesh": "MESH:C113825", + "drugbank": "DB:DB01369" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C113825", + "target": "MESH:D054681" + }, + { + "key": "negatively regulates", + "source": "MESH:C113825", + "target": "Pfam:PF00466" + }, + { + "key": "negatively regulates", + "source": "MESH:C113825", + "target": "Pfam:PF00237" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00466", + "target": "GO:0006412" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00237", + "target": "GO:0006412" + }, + { + "key": "location of", + "source": "MESH:D054681", + "target": "GO:0000048" + }, + { + "key": "positively correlated with", + "source": "GO:0000048", + "target": "GO:0006412" + }, + { + "key": "in taxon", + "source": "GO:0006412", + "target": "taxonomy:1314" + }, + { + "key": "causes", + "source": "taxonomy:1314", + "target": "MESH:D013290" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C113825", + "label": "Drug", + "name": "quinupristin" + }, + { + "id": "MESH:D054681", + "label": "ChemicalSubstance", + "name": "Ribosome Subunits, Large, Bacterial" + }, + { + "id": "GO:0006412", + "label": "BiologicalProcess", + "name": "translation" + }, + { + "id": "GO:0000048", + "label": "MolecularActivity", + "name": "peptidyltransferase activity" + }, + { + "id": "Pfam:PF00237", + "label": "GeneFamily", + "name": "Ribosomal protein L22p/L17e" + }, + { + "id": "Pfam:PF00466", + "label": "GeneFamily", + "name": "Ribosomal protein L10" + }, + { + "id": "taxonomy:1314", + "label": "OrganismTaxon", + "name": "Streptococcus pyogenes" + }, + { + "id": "MESH:D013290", + "label": "Disease", + "name": "Streptococcus pyogenes infection" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01369#mechanism-of-action", + "https://en.wikipedia.org/wiki/Quinupristin", + "https://www.tandfonline.com/doi/abs/10.1517/13543784.7.4.591", + "https://en.wikipedia.org/wiki/Quinupristin/dalfopristin#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00461_MESH_D010003_1", + "disease": "Osteoarthritis", + "disease_mesh": "MESH:D010003", + "drug": "Nabumetone", + "drug_mesh": "MESH:D000077430", + "drugbank": "DB:DB00461" + }, + "links": [ + { + "key": "produces", + "source": "MESH:D000077430", + "target": "CHEBI:35628" + }, + { + "key": "decreases activity of", + "source": "CHEBI:35628", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "CHEBI:35628", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "MESH:D011453" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0002829" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MESH:D010003" + }, + { + "key": "positively correlated with", + "source": "HP:0002829", + "target": "MESH:D010003" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000077430", + "label": "Drug", + "name": "Nabumetone" + }, + { + "id": "CHEBI:35628", + "label": "ChemicalSubstance", + "name": "(6-methoxy-2-naphthyl)acetic acid" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "HP:0002829", + "label": "PhenotypicFeature", + "name": "Arthralgia" + }, + { + "id": "MESH:D010003", + "label": "Disease", + "name": "Osteoarthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00461#mechanism-of-action", + "https://en.wikipedia.org/wiki/Nabumetone", + "https://www.uniprot.org/uniprot/P23219#function", + "https://www.uniprot.org/uniprot/P35354#function", + "https://en.wikipedia.org/wiki/Osteoarthritis" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00461_MESH_D001172_1", + "disease": "Arthritis, Rheumatoid", + "disease_mesh": "MESH:D001172", + "drug": "Nabumetone", + "drug_mesh": "MESH:D000077430", + "drugbank": "DB:DB00461" + }, + "links": [ + { + "key": "produces", + "source": "MESH:D000077430", + "target": "CHEBI:35628" + }, + { + "key": "decreases activity of", + "source": "CHEBI:35628", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "CHEBI:35628", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "MESH:D011453" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0002829" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MESH:D001172" + }, + { + "key": "positively correlated with", + "source": "HP:0002829", + "target": "MESH:D001172" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000077430", + "label": "Drug", + "name": "Nabumetone" + }, + { + "id": "CHEBI:35628", + "label": "ChemicalSubstance", + "name": "(6-methoxy-2-naphthyl)acetic acid" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "HP:0002829", + "label": "PhenotypicFeature", + "name": "Arthralgia" + }, + { + "id": "MESH:D001172", + "label": "Disease", + "name": "Arthritis, Rheumatoid" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00461#mechanism-of-action", + "https://en.wikipedia.org/wiki/Nabumetone", + "https://www.uniprot.org/uniprot/P23219#function", + "https://www.uniprot.org/uniprot/P35354#function", + "https://en.wikipedia.org/wiki/Rheumatoid_arthritis" + ] + }, + { + "comment": "The activation of Atrial natriuretic peptide receptor 1 has been observed in vitro (https://pubmed.ncbi.nlm.nih.gov/12890708/) and it's reported in DrugBank whereas ChEMBL favours the Soluble Guanylyl Cyclase route. Also note that when the drug is admnistered at low doses, it dilates veins and reduces the volume of blood in the heart after filling (this is supposedly the main mechanism of action). At higher doses, it dilates arteries as well.", + "directed": true, + "graph": { + "_id": "DB00727_MESH_D000787_1", + "disease": "Angina pectoris", + "disease_mesh": "MESH:D000787", + "drug": "glyceryl trinitrate", + "drug_mesh": "MESH:D005996", + "drugbank": "DB:DB00727" + }, + "links": [ + { + "key": "produces", + "source": "MESH:D005996", + "target": "CHEBI:16480" + }, + { + "key": "positively regulates", + "source": "CHEBI:16480", + "target": "GO:0038060" + }, + { + "key": "positively correlated with", + "source": "GO:0038060", + "target": "GO:0042311" + }, + { + "key": "positively regulates", + "source": "CHEBI:16480", + "target": "UniProt:P16066" + }, + { + "key": "positively regulates", + "source": "UniProt:P16066", + "target": "GO:0007168" + }, + { + "key": "positively correlated with", + "source": "GO:0007168", + "target": "GO:0042311" + }, + { + "key": "negatively correlated with", + "source": "GO:0042311", + "target": "MESH:D000787" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_names": [ + "Nitroglycerin" + ], + "id": "MESH:D005996", + "label": "Drug", + "name": "glyceryl trinitrate" + }, + { + "id": "CHEBI:16480", + "label": "ChemicalSubstance", + "name": "nitric oxide" + }, + { + "id": "UniProt:P16066", + "label": "Protein", + "name": "Atrial natriuretic peptide receptor 1" + }, + { + "id": "GO:0038060", + "label": "BiologicalProcess", + "name": "nitric oxide-cGMP-mediated signaling pathway" + }, + { + "id": "GO:0007168", + "label": "BiologicalProcess", + "name": "receptor guanylyl cyclase signaling pathway" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D000787", + "label": "Disease", + "name": "Angina pectoris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00727#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL730/", + "https://en.wikipedia.org/wiki/Nitroglycerin#Medical_use" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01280_MESH_D054218_1", + "disease": "T-cell acute lymphoblastic leukemia", + "disease_mesh": "MESH:D054218", + "drug": "nelarabine", + "drug_mesh": "MESH:C104457", + "drugbank": "DB:DB01280" + }, + "links": [ + { + "key": "produces", + "source": "MESH:C104457", + "target": "MESH:C022206" + }, + { + "key": "decreases activity of", + "source": "MESH:C022206", + "target": "UniProt:P09884" + }, + { + "key": "positively regulates", + "source": "UniProt:P09884", + "target": "GO:0006260" + }, + { + "key": "positively correlated with", + "source": "GO:0006260", + "target": "HP:0031379" + }, + { + "key": "prevents", + "source": "MESH:C022206", + "target": "GO:0090592" + }, + { + "key": "positively correlated with", + "source": "GO:0090592", + "target": "HP:0031379" + }, + { + "key": "positively correlated with", + "source": "HP:0031379", + "target": "MESH:D054218" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C104457", + "label": "Drug", + "name": "nelarabine" + }, + { + "id": "MESH:C022206", + "label": "ChemicalSubstance", + "name": "9-beta-D-arabinofuranosylguanosine 5'-triphosphate" + }, + { + "id": "UniProt:P09884", + "label": "Protein", + "name": "DNA polymerase alpha catalytic subunit" + }, + { + "id": "GO:0090592", + "label": "BiologicalProcess", + "name": "DNA synthesis involved in DNA replication" + }, + { + "id": "GO:0006260", + "label": "BiologicalProcess", + "name": "DNA replication" + }, + { + "id": "HP:0031379", + "label": "PhenotypicFeature", + "name": "Abnormal T cell proliferation" + }, + { + "id": "MESH:D054218", + "label": "Disease", + "name": "T-cell acute lymphoblastic leukemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01280#mechanism-of-action", + "https://en.wikipedia.org/wiki/Nelarabine" + ] + }, + { + "comment": "There appears to be no connection between Niacin deficiency and nicotine. Although niacin and nicotine are somehow related (nicotine can turn into nicotinic acid via oxidation), nicotine may not be able to replace niacin as treatment for Niacin deficiency. Actually nicotine could compete with niacin for binding sites in the enzymes necessary for vitamin B3 metabolism, and therefore would decrease the amount of B3 available for the cells.", + "directed": true, + "graph": { + "_id": "DB00184_MESH_D010383_1", + "disease": "Niacin deficiency", + "disease_mesh": "MESH:D010383", + "drug": "nicotine", + "drug_mesh": "MESH:D009538", + "drugbank": "DB:DB00184" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D009538", + "target": "MESH:D010383" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:D061485" + ], + "id": "MESH:D009538", + "label": "Drug", + "name": "nicotine" + }, + { + "id": "MESH:D010383", + "label": "Disease", + "name": "Niacin deficiency" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00184#indication", + "https://en.wikipedia.org/wiki/Nicotine#Biosynthesis", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL3/", + "https://hopes.stanford.edu/nicotinamide/#relationship-between-nicotinamide-and-nicotine" + ] + }, + { + "comment": "Both DrugBank (https://go.drugbank.com/drugs/DB06718#mechanism-of-action) and ChEMBL (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL2079587/) have this drug modulating target AR (UniProt:P10275) but that's not the mechanism of action for this indication (MESH:D054179).", + "directed": true, + "graph": { + "_id": "DB06718_MESH_D054179_1", + "disease": "Hereditary angioneurotic edema", + "disease_mesh": "MESH:D054179", + "drug": "stanozolol", + "drug_mesh": "MESH:D013197", + "drugbank": "DB:DB06718" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D013197", + "target": "UniProt:P05155" + }, + { + "key": "negatively regulates", + "source": "UniProt:P05155", + "target": "GO:0006956" + }, + { + "key": "positively correlated with", + "source": "GO:0006956", + "target": "Pfam:PF06753" + }, + { + "key": "negatively correlated with", + "source": 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Please note this drug had 2 DrugBank IDs in the Drug Centarl, DB00584 and DB09477. 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Please note this drug had 2 DrugBank IDs in the Drug Centarl, DB00584 and DB09477. 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nucleotide biosynthetic process" + }, + { + "id": "GO:0019363", + "label": "BiologicalProcess", + "name": "pyridine nucleotide biosynthetic process" + }, + { + "id": "GO:0000280", + "label": "BiologicalProcess", + "name": "nuclear division" + }, + { + "id": "taxonomy:5811", + "label": "OrganismTaxon", + "name": "Toxoplasma gondii" + }, + { + "id": "MESH:D014123", + "label": "Disease", + "name": "Toxoplasmosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00205#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/target_report_card/CHEMBL1939/" + ] + }, + { + "comment": "The drug has an anti-inflammatory role which can help with treating some of the signs and symptoms of rosasea.", + "directed": true, + "graph": { + "_id": "DB00484_MESH_D012393_1", + "disease": "Rosacea", + "disease_mesh": "MESH:D012393", + "drug": "brimonidine", + "drug_mesh": "MESH:D000068438", + "drugbank": "DB:DB00484" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D000068438", + "target": "UniProt:P08913" + }, + { + "key": "increases activity of", + "source": "MESH:D000068438", + "target": "UniProt:P18089" + }, + { + "key": "increases activity of", + "source": "MESH:D000068438", + "target": "UniProt:P18825" + }, + { + "key": "participates in", + "source": "UniProt:P08913", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P18089", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P18825", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P08913", + "target": "reactome:R-HSA-418597" + }, + { + "key": "participates in", + "source": "UniProt:P18089", + "target": "reactome:R-HSA-418597" + }, + { + "key": "participates in", + "source": "UniProt:P18825", + "target": "reactome:R-HSA-418597" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418594", + "target": "CHEBI:17489" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418597", + "target": "CHEBI:17489" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:17489", + "target": "GO:0042310" + }, + { + "key": "negatively correlated with", + "source": "GO:0042310", + "target": "HP:0001041" + }, + { + "key": "negatively correlated with", + "source": "GO:0042310", + "target": "HP:0031284" + }, + { + "key": "positively correlated with", + "source": "HP:0031284", + "target": "MESH:D012393" + }, + { + "key": "positively correlated with", + "source": "HP:0001041", + "target": "MESH:D012393" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068438", + "label": "Drug", + "name": "brimonidine" + }, + { + "id": "UniProt:P08913", + "label": "Protein", + "name": "Alpha-2A adrenergic receptor" + }, + { + "id": "UniProt:P18089", + "label": "Protein", + "name": "Alpha-2B adrenergic receptor" + }, + { + "id": "UniProt:P18825", + "label": "Protein", + "name": "Alpha-2C adrenergic receptor" + }, + { + "id": "reactome:R-HSA-418594", + "label": "Pathway", + "name": "G alpha (i) signalling events" + }, + { + "id": "reactome:R-HSA-418597", + "label": "Pathway", + "name": "G alpha (z) signalling events" + }, + { + "id": "CHEBI:17489", + "label": "ChemicalSubstance", + "name": "3,5-cyclic AMP" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0031284", + "label": "PhenotypicFeature", + "name": "Flushing" + }, + { + "id": "HP:0001041", + "label": "PhenotypicFeature", + "name": "Facial erythema" + }, + { + "id": "MESH:D012393", + "label": "Disease", + "name": "Rosacea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00484#mechanism-of-action", + "https://en.wikipedia.org/wiki/Brimonidine#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Rosacea#Medications", + "https://pubmed.ncbi.nlm.nih.gov/26566370/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09087_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MESH:D010437", + "drug": "alum", + "drug_mesh": "MESH:D000534", + "drugbank": "DB:DB09087" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000534", + "target": "GO:0006954" + }, + { + "key": "negatively regulates", + "source": "MESH:D000534", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MESH:D010437" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MESH:D010437" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C041524" + ], + "id": "MESH:D000534", + "label": "Drug", + "name": "alum" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09087#pharmacodynamics", + "https://en.wikipedia.org/wiki/Potassium_alum#Medicine_and_cosmetics" + ] + }, + { + "comment": "The disease is also known as Indigestion as per in the original file before curation. Note that in the majority of cases no cause can be attributed to leading to the disease. When a cause can indeed be determined, the majority of cases will be due to gastroesophageal reflux and gastritis (https://en.wikipedia.org/wiki/Indigestion#Cause).", + "directed": true, + "graph": { + "_id": "DB09087_MESH_D004415_1", + "disease": "Dyspepsia", + "disease_mesh": "MESH:D004415", + "drug": "alum", + "drug_mesh": "MESH:D000534", + "drugbank": "DB:DB09087" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000534", + "target": "GO:0006954" + }, + { + "key": "negatively regulates", + "source": "MESH:D000534", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "HP:0005263" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "HP:0002020" + }, + { + "key": "manifestation of", + "source": "HP:0002020", + "target": "MESH:D004415" + }, + { + "key": "manifestation of", + "source": "HP:0005263", + "target": "MESH:D004415" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C041524" + ], + "id": "MESH:D000534", + "label": "Drug", + "name": "alum" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "HP:0005263", + "label": "PhenotypicFeature", + "name": "Gastritis" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "HP:0002020", + "label": "PhenotypicFeature", + "name": "Gastroesophageal reflux" + }, + { + "id": "MESH:D004415", + "label": "Disease", + "name": "Dyspepsia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09087#pharmacodynamics", + "https://en.wikipedia.org/wiki/Potassium_alum#Medicine_and_cosmetics" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09087_MESH_D006356_1", + "disease": "Heartburn", + "disease_mesh": "MESH:D006356", + "drug": "alum", + "drug_mesh": "MESH:D000534", + "drugbank": "DB:DB09087" + }, + "links": [ + { + "key": "subclass of", + "source": "MESH:D000534", + "target": "MESH:D001252" + }, + { + "key": "negatively correlated with", + "source": "MESH:D001252", + "target": "MESH:D005744" + }, + { + "key": "located in", + "source": "MESH:D005744", + "target": "UBERON:0001043" + }, + { + "key": "location of", + "source": "UBERON:0001043", + "target": "MESH:D006356" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C041524" + ], + "id": "MESH:D000534", + "label": "Drug", + "name": "alum" + }, + { + "id": "MESH:D001252", + "label": "ChemicalSubstance", + "name": "Astringents" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric Acid" + }, + { + "id": "UBERON:0001043", + "label": "GrossAnatomicalStructure", + "name": "esophagus" + }, + { + "id": "MESH:D006356", + "label": "Disease", + "name": "Heartburn" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09087#pharmacodynamics", + "https://en.wikipedia.org/wiki/Potassium_alum#Medicine_and_cosmetics", + "https://en.wikipedia.org/wiki/Heartburn#Treatment" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09087_MESH_D005764_1", + "disease": "Gastroesophageal reflux disease", + "disease_mesh": "MESH:D005764", + "drug": "alum", + "drug_mesh": "MESH:D000534", + "drugbank": "DB:DB09087" + }, + "links": [ + { + "key": "subclass of", + "source": "MESH:D000534", + "target": "MESH:D001252" + }, + { + "key": "negatively correlated with", + "source": "MESH:D001252", + "target": "MESH:D005744" + }, + { + "key": "located in", + "source": "MESH:D005744", + "target": "UBERON:0001043" + }, + { + "key": "location of", + "source": "UBERON:0001043", + "target": "MESH:D006356" + }, + { + "key": "manifestation of", + "source": "MESH:D006356", + "target": "MESH:D005764" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C041524" + ], + "id": "MESH:D000534", + "label": "Drug", + "name": "alum" + }, + { + "id": "MESH:D001252", + "label": "ChemicalSubstance", + "name": "Astringents" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric Acid" + }, + { + "id": "UBERON:0001043", + "label": "GrossAnatomicalStructure", + "name": "esophagus" + }, + { + "id": "MESH:D006356", + "label": "PhenotypicFeature", + "name": "Heartburn" + }, + { + "id": "MESH:D005764", + "label": "Disease", + "name": "Gastroesophageal reflux disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09087#pharmacodynamics", + "https://en.wikipedia.org/wiki/Potassium_alum#Medicine_and_cosmetics", + "https://en.wikipedia.org/wiki/Gastroesophageal_reflux_disease#Antacids" + ] + }, + { + "comment": "Esomeprazole is the s-isomer of Omeprazole, both are a proton pump inhibitor class of drug and the mechanism of action for both is similar. Weve annotated the path for the S isomer only as it seems this isomer is metabolized more slowly than omeprazole and therefore it will act for longer and more effectively (https://onlinelibrary.wiley.com/doi/pdf/10.1046/j.1365-2036.17.s1.1.x).", + "directed": true, + "graph": { + "_id": "DB00736_MESH_D005764_1", + "disease": "Gastroesophageal reflux disease", + "disease_mesh": "MESH:D005764", + "drug": "esomeprazole", + "drug_mesh": "MESH:D064098", + "drugbank": "DB:DB00736" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D064098", + "target": "UniProt:P20648" + }, + { + "key": "positively correlated with", + "source": "UniProt:P20648", + "target": "GO:0008900" + }, + { + "key": "located in", + "source": "GO:0008900", + "target": "UBERON:0000325" + }, + { + "key": "positively correlated with", + "source": "UBERON:0000325", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MESH:D006356" + }, + { + "key": "manifestation of", + "source": "MESH:D006356", + "target": "MESH:D005764" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D064098", + "label": "Drug", + "name": "esomeprazole" + }, + { + "id": "UniProt:P20648", + "label": "Protein", + "name": "Potassium-transporting ATPase alpha chain 1" + }, + { + "id": "GO:0008900", + "label": "MolecularActivity", + "name": "P-type potassium:proton transporter activity" + }, + { + "id": "UBERON:0000325", + "label": "GrossAnatomicalStructure", + "name": "gastric gland" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "MESH:D006356", + "label": "PhenotypicFeature", + "name": "Heartburn" + }, + { + "id": "MESH:D005764", + "label": "Disease", + "name": "Gastroesophageal reflux disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00736#mechanism-of-action", + "https://en.wikipedia.org/wiki/Esomeprazole", + "https://en.wikipedia.org/wiki/Omeprazole#Mechanism_of_action" + ] + }, + { + "comment": "Esomeprazole is the s-isomer of Omeprazole, both are a proton pump inhibitor class of drug and the mechanism of action for both is similar. Weve annotated the path for the S isomer only as it seems this isomer is metabolized more slowly than omeprazole and therefore it will act for longer and more effectively (https://onlinelibrary.wiley.com/doi/pdf/10.1046/j.1365-2036.17.s1.1.x). This disease is denoted as Peptic reflux disease in the original file.", + "directed": true, + "graph": { + "_id": "DB00736_MESH_D004942_1", + "disease": "Esophagitis, Peptic", + "disease_mesh": "MESH:D004942", + "drug": "esomeprazole", + "drug_mesh": "MESH:D064098", + "drugbank": "DB:DB00736" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D064098", + "target": "UniProt:P20648" + }, + { + "key": "positively correlated with", + "source": "UniProt:P20648", + "target": "GO:0008900" + }, + { + "key": "positively correlated with", + "source": "GO:0008900", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "HP:0004791" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "HP:0002020" + }, + { + "key": "manifestation of", + "source": "HP:0004791", + "target": "MESH:D004942" + }, + { + "key": "manifestation of", + "source": "HP:0002020", + "target": "MESH:D004942" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D064098", + "label": "Drug", + "name": "esomeprazole" + }, + { + "id": "UniProt:P20648", + "label": "Protein", + "name": "Potassium-transporting ATPase alpha chain 1" + }, + { + "id": "GO:0008900", + "label": "MolecularActivity", + "name": "P-type potassium:proton transporter activity" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "HP:0004791", + "label": "PhenotypicFeature", + "name": "Esophageal ulceration" + }, + { + "id": "HP:0002020", + "label": "PhenotypicFeature", + "name": "Gastroesophageal reflux" + }, + { + "id": "MESH:D004942", + "label": "Disease", + "name": "Esophagitis, Peptic" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00736#mechanism-of-action", + "https://en.wikipedia.org/wiki/Esomeprazole", + "https://en.wikipedia.org/wiki/Omeprazole#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Esophagitis#Causes", + "https://en.wikipedia.org/wiki/Esophagitis#Medications" + ] + }, + { + "comment": "Esomeprazole is the s-isomer of Omeprazole, both are a proton pump inhibitor class of drug and the mechanism of action for both is similar. Weve annotated the path for the S isomer only as it seems this isomer is metabolized more slowly than omeprazole and therefore it will act for longer and more effectively (https://onlinelibrary.wiley.com/doi/pdf/10.1046/j.1365-2036.17.s1.1.x). This disease is denoted as Peptic reflux disease in the original file.", + "directed": true, + "graph": { + "_id": "DB00736_MESH_D015043_1", + "disease": "Zollinger-Ellison syndrome", + "disease_mesh": "MESH:D015043", + "drug": "esomeprazole", + "drug_mesh": "MESH:D064098", + "drugbank": "DB:DB00736" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D064098", + "target": "UniProt:P20648" + }, + { + "key": "positively correlated with", + "source": "UniProt:P20648", + "target": "GO:0008900" + }, + { + "key": "positively correlated with", + "source": "GO:0008900", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "HP:0004398" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "HP:0002588" + }, + { + "key": "manifestation of", + "source": "HP:0002588", + "target": "MESH:D015043" + }, + { + "key": "manifestation of", + "source": "HP:0004398", + "target": "MESH:D015043" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D064098", + "label": "Drug", + "name": "esomeprazole" + }, + { + "id": "UniProt:P20648", + "label": "Protein", + "name": "Potassium-transporting ATPase alpha chain 1" + }, + { + "id": "GO:0008900", + "label": "MolecularActivity", + "name": "P-type potassium:proton transporter activity" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "HP:0002588", + "label": "PhenotypicFeature", + "name": "Duodenal ulcer" + }, + { + "id": "HP:0004398", + "label": "PhenotypicFeature", + "name": "Peptic Ulcer" + }, + { + "id": "MESH:D015043", + "label": "Disease", + "name": "Zollinger-Ellison syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00736#mechanism-of-action", + "https://en.wikipedia.org/wiki/Esomeprazole", + "https://en.wikipedia.org/wiki/Omeprazole#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Esophagitis#Causes", + "https://en.wikipedia.org/wiki/Esophagitis#Medications", + "https://en.wikipedia.org/wiki/Zollinger%E2%80%93Ellison_syndrome#Treatment", + "https://en.wikipedia.org/wiki/Zollinger%E2%80%93Ellison_syndrome#Pathophysiology" + ] + }, + { + "comment": "Esomeprazole is the s-isomer of Omeprazole, both are a proton pump inhibitor class of drug and the mechanism of action for both is similar. Weve annotated the path for the S isomer only as it seems this isomer is metabolized more slowly than omeprazole and therefore it will act for longer and more effectively (https://onlinelibrary.wiley.com/doi/pdf/10.1046/j.1365-2036.17.s1.1.x). This disease is denoted as Peptic reflux disease in the original file.", + "directed": true, + "graph": { + "_id": "DB00736_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MESH:D010437", + "drug": "esomeprazole", + "drug_mesh": "MESH:D064098", + "drugbank": "DB:DB00736" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D064098", + "target": "UniProt:P20648" + }, + { + "key": "positively correlated with", + "source": "UniProt:P20648", + "target": "GO:0008900" + }, + { + "key": "positively correlated with", + "source": "GO:0008900", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MESH:D010437" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D064098", + "label": "Drug", + "name": "esomeprazole" + }, + { + "id": "UniProt:P20648", + "label": "Protein", + "name": "Potassium-transporting ATPase alpha chain 1" + }, + { + "id": "GO:0008900", + "label": "MolecularActivity", + "name": "P-type potassium:proton transporter activity" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00736#mechanism-of-action", + "https://en.wikipedia.org/wiki/Esomeprazole", + "https://en.wikipedia.org/wiki/Omeprazole#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01048_MESH_D015658_2", + "disease": "Human immunodeficiency virus infection", + "disease_mesh": "MESH:D015658", + "drug": "abacavir", + "drug_mesh": "MESH:C106538", + "drugbank": "DB:DB01048" + }, + "links": [ + { + "key": "produces", + "source": "MESH:C106538", + "target": "CHEBI:64174" + }, + { + "key": "decreases activity of", + "source": "CHEBI:64174", + "target": "UniProt:Q72547" + }, + { + "key": "positively regulates", + "source": "UniProt:Q72547", + "target": "GO:0003964" + }, + { + "key": "positively correlated with", + "source": "GO:0003964", + "target": "GO:0019079" + }, + { + "key": "in taxon", + "source": "GO:0019079", + "target": "taxonomy:11676" + }, + { + "key": "causes", + "source": "taxonomy:11676", + "target": "MESH:D015658" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C106538", + "label": "Drug", + "name": "abacavir" + }, + { + "id": "CHEBI:64174", + "label": "ChemicalSubstance", + "name": "carbovir triphosphate" + }, + { + "id": "UniProt:Q72547", + "label": "Protein", + "name": "Reverse transcriptase/RNaseH" + }, + { + "id": "GO:0003964", + "label": "MolecularActivity", + "name": "RNA-directed DNA polymerase activity" + }, + { + "id": "GO:0019079", + "label": "BiologicalProcess", + "name": "viral genome replication" + }, + { + "id": "taxonomy:11676", + "label": "OrganismTaxon", + "name": "Human immunodeficiency virus 1" + }, + { + "id": "MESH:D015658", + "label": "Disease", + "name": "Human immunodeficiency virus infection" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01048#mechanism-of-action", + "https://en.wikipedia.org/wiki/Abacavir#Mechanism_of_action" + ] + }, + { + "comment": "The disease is also known as Sore throat symptom as per the original file.", + "directed": true, + "graph": { + "_id": "DB06742_MESH_D010612_1", + "disease": "Pharyngitis", + "disease_mesh": "MESH:D010612", + "drug": "ambroxol", + "drug_mesh": "MESH:D000551", + "drugbank": "DB:DB06742" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000551", + "target": "GO:0038060" + }, + { + "key": "positively correlated with", + "source": "GO:0038060", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "HP:0033050" + }, + { + "key": "negatively regulates", + "source": "MESH:D000551", + "target": "Pfam:PF06512" + }, + { + "key": "positively correlated with", + "source": "Pfam:PF06512", + "target": "GO:0006954" + }, + { + "key": "increases abundance of", + "source": "GO:0038060", + "target": "UBERON:0016552" + }, + { + "key": "positively correlated with", + "source": "UBERON:0016552", + "target": "HP:0031602" + }, + { + "key": "positively correlated with", + "source": "HP:0031602", + "target": "HP:0033050" + }, + { + "key": "positively correlated with", + "source": "Pfam:PF06512", + "target": "HP:0012531" + }, + { + "key": "positively correlated with", + "source": "HP:0012531", + "target": "HP:0033050" + }, + { + "key": "manifestation of", + "source": "HP:0033050", + "target": "MESH:D010612" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000551", + "label": "Drug", + "name": "ambroxol" + }, + { + "id": "GO:0038060", + "label": "BiologicalProcess", + "name": "nitric oxide-cGMP-mediated signaling pathway" + }, + { + "id": "HP:0012531", + "label": "PhenotypicFeature", + "name": "Pain" + }, + { + "id": "UBERON:0016552", + "label": "GrossAnatomicalStructure", + "name": "phlegm" + }, + { + "id": "HP:0031602", + "label": "PhenotypicFeature", + "name": "Abnormal mucociliary clearance" + }, + { + "id": "Pfam:PF06512", + "label": "GeneFamily", + "name": "Sodium ion transport-associated" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "HP:0033050", + "label": "PhenotypicFeature", + "name": "Pharyngalgia" + }, + { + "id": "MESH:D010612", + "label": "Disease", + "name": "Pharyngitis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Ambroxol#Mechanism_of_action", + "https://go.drugbank.com/drugs/DB06742#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/28937232/", + "https://en.wikipedia.org/wiki/Sore_throat#Diagnosis" + ] + }, + { + "comment": "Tolvaptan is also known as aquaretic (https://en.wikipedia.org/wiki/Aquaretic). Note that hyponatremia corresponds to the state where water content is relatively large for the sodium content available (https://pubmed.ncbi.nlm.nih.gov/19322975/), which is possibly due to increased water reabsorption. There are different types of hyponatremia, and medications like tolvaptan should only be used in those patients with high volume or normal volume hyponatremia (https://en.wikipedia.org/wiki/Hyponatremia#Medications).", + "directed": true, + "graph": { + "_id": "DB06212_MESH_D007010_1", + "disease": "Hyponatremia", + "disease_mesh": "MESH:D007010", + "drug": "tolvaptan", + "drug_mesh": "MESH:C116664", + "drugbank": "DB:DB06212" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C116664", + "target": "UniProt:P30518" + }, + { + "key": "participates in", + "source": "UniProt:P30518", + "target": "reactome:R-HSA-432040" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-432040", + "target": "GO:0070295" + }, + { + "key": "positively correlated with", + "source": "GO:0070295", + "target": "MESH:D007010" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C116664", + "label": "Drug", + "name": "tolvaptan" + }, + { + "id": "UniProt:P30518", + "label": "Protein", + "name": "Vasopressin V2 receptor" + }, + { + "id": "reactome:R-HSA-432040", + "label": "Pathway", + "name": "Vasopressin regulates renal water homeostasis via Aquaporins" + }, + { + "id": "GO:0070295", + "label": "BiologicalProcess", + "name": "renal water absorption" + }, + { + "id": "MESH:D007010", + "label": "Disease", + "name": "Hyponatremia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06212#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/20868352/", + "https://en.wikipedia.org/wiki/Vasopressin_receptor_antagonist" + ] + }, + { + "comment": "This disease is also known as Syndrome of inappropriate vasopressin secretion as per the original file. Tolvaptan is also known as aquaretic (https://en.wikipedia.org/wiki/Aquaretic). Note that hyponatremia corresponds to the state where water content is relatively large for the sodium content available (https://pubmed.ncbi.nlm.nih.gov/19322975/), which is possibly due to increased water reabsorption.", + "directed": true, + "graph": { + "_id": "DB06212_MESH_D007177_1", + "disease": "Inappropriate ADH Syndrome", + "disease_mesh": "MESH:D007177", + "drug": "tolvaptan", + "drug_mesh": "MESH:C116664", + "drugbank": "DB:DB06212" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C116664", + "target": "UniProt:P30518" + }, + { + "key": "participates in", + "source": "UniProt:P30518", + "target": "reactome:R-HSA-432040" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-432040", + "target": "GO:0070295" + }, + { + "key": "positively correlated with", + "source": "GO:0070295", + "target": "MESH:D007177" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C116664", + "label": "Drug", + "name": "tolvaptan" + }, + { + "id": "UniProt:P30518", + "label": "Protein", + "name": "Vasopressin V2 receptor" + }, + { + "id": "reactome:R-HSA-432040", + "label": "Pathway", + "name": "Vasopressin regulates renal water homeostasis via Aquaporins" + }, + { + "id": "GO:0070295", + "label": "BiologicalProcess", + "name": "renal water absorption" + }, + { + "alt_names": [ + "Syndrome of Inappropriate ADH Secretion, SIADH" + ], + "id": "MESH:D007177", + "label": "Disease", + "name": "Inappropriate ADH Syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06212#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/20868352/", + "https://en.wikipedia.org/wiki/Vasopressin_receptor_antagonist", + "https://en.wikipedia.org/wiki/Syndrome_of_inappropriate_antidiuretic_hormone_secretion#Treatment" + ] + }, + { + "comment": "This disease is also known as Polycystic kidney disease adult type as per the original file. Tolvaptan is also known as aquaretic (https://en.wikipedia.org/wiki/Aquaretic). Note that hyponatremia corresponds to the state where water content is relatively large for the sodium content available (https://pubmed.ncbi.nlm.nih.gov/19322975/), which is possibly due to increased water reabsorption.", + "directed": true, + "graph": { + "_id": "DB06212_MESH_D016891_1", + "disease": "Polycystic Kidney, Autosomal Dominant", + "disease_mesh": "MESH:D016891", + "drug": "tolvaptan", + "drug_mesh": "MESH:C116664", + "drugbank": "DB:DB06212" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C116664", + "target": "UniProt:P30518" + }, + { + "key": "participates in", + "source": "UniProt:P30518", + "target": "reactome:R-HSA-418555" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-418555", + "target": "CHEBI:17489" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17489", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17489", + "target": "HP:0000107" + }, + { + "key": "manifestation of", + "source": "HP:0000107", + "target": "MESH:D016891" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MESH:D016891" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C116664", + "label": "Drug", + "name": "tolvaptan" + }, + { + "id": "UniProt:P30518", + "label": "Protein", + "name": "Vasopressin V2 receptor" + }, + { + "id": "reactome:R-HSA-418555", + "label": "Pathway", + "name": "G alpha (s) signalling events" + }, + { + "id": "CHEBI:17489", + "label": "ChemicalSubstance", + "name": "3,5-cyclic AMP" + }, + { + "id": "HP:0000107", + "label": "PhenotypicFeature", + "name": "Renal cyst" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "MESH:D016891", + "label": "Disease", + "name": "Polycystic Kidney, Autosomal Dominant" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06212#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/20868352/", + "https://en.wikipedia.org/wiki/Autosomal_dominant_polycystic_kidney_disease#Aquaretic_medication", + "https://en.wikipedia.org/wiki/Vasopressin_receptor_antagonist#Polycystic_kidney_disease" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00855_MESH_D055623_1", + "disease": "Actinic keratosis", + "disease_mesh": "MESH:D055623", + "drug": "Aminolevulinic acid", + "drug_mesh": "MESH:D000622", + "drugbank": "DB:DB00855" + }, + "links": [ + { + "key": "subclass of", + "source": "MESH:D000622", + "target": "MESH:D017319" + }, + { + "key": "positively correlated with", + "source": "MESH:D017319", + "target": "MESH:D005609" + }, + { + "key": "disrupts", + "source": "MESH:D005609", + "target": "HP:0011355" + }, + { + "key": "positively correlated with", + "source": "HP:0011355", + "target": "MESH:D055623" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000622", + "label": "Drug", + "name": "Aminolevulinic acid" + }, + { + "id": "MESH:D017319", + "label": "ChemicalSubstance", + "name": "Photosensitizing Agents" + }, + { + "id": "MESH:D005609", + "label": "ChemicalSubstance", + "name": "Free Radicals" + }, + { + "id": "HP:0011355", + "label": "PhenotypicFeature", + "name": "Localized skin lesion" + }, + { + "id": "MESH:D055623", + "label": "Disease", + "name": "Actinic keratosis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Aminolevulinic_acid#Medical_uses", + "https://en.wikipedia.org/wiki/Actinic_keratosis#Procedures", + "https://en.wikipedia.org/wiki/Photodynamic_therapy#Photosensitizers" + ] + }, + { + "comment": "In Parkinson's disease, there is imbalance between levels of acetylcholine and dopamine, where increased levels of acetylcholine and degeneration of dopaminergic pathways are observed. Therefore, muscarinic antagonists such as biperiden block central cholinergic activity and balancing out neurotransmitters in the brain (https://en.wikipedia.org/wiki/Muscarinic_antagonist#Effects). Anticholinergic drugs may also be prescribed to improve bladder dysfunction (https://pubmed.ncbi.nlm.nih.gov/20370804/).", + "directed": true, + "graph": { + "_id": "DB00810_MESH_D010300_1", + "disease": "Parkinson's disease", + "disease_mesh": "MESH:D010300", + "drug": "biperiden", + "drug_mesh": "MESH:D001712", + "drugbank": "DB:DB00810" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D001712", + "target": "UniProt:P11229" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "HP:0100022" + }, + { + "key": "manifestation of", + "source": "HP:0100022", + "target": "MESH:D010300" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C036432" + ], + "id": "MESH:D001712", + "label": "Drug", + "name": "biperiden" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "HP:0100022", + "label": "PhenotypicFeature", + "name": "Abnormality of movement" + }, + { + "id": "MESH:D010300", + "label": "Disease", + "name": "Parkinson's disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00810#mechanism-of-action" + ] + }, + { + "comment": "The disease is denoted as Postencephalitic parkinsonism in the original file. This disease is believed to be caused by a viral infection, leading to clinical parkinsonism (https://en.wikipedia.org/wiki/Postencephalitic_parkinsonism) and anti-Parkinson drugs may be helpful in treating the symptoms (https://en.wikipedia.org/wiki/Encephalitis_lethargica). For example, muscarinic antagonists can allow dopamine levels to rebalance, which can help relieve some Parkinsonian symptoms e.g. involuntary movements. Anticholinergic drugs may also be prescribed to improve bladder dysfunction (https://pubmed.ncbi.nlm.nih.gov/20370804/).", + "directed": true, + "graph": { + "_id": "DB00810_MESH_D010301_1", + "disease": "Parkinson Disease, Postencephalitic", + "disease_mesh": "MESH:D010301", + "drug": "biperiden", + "drug_mesh": "MESH:D001712", + "drugbank": "DB:DB00810" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D001712", + "target": "UniProt:P11229" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "HP:0100022" + }, + { + "key": "positively correlated with", + "source": "HP:0100022", + "target": "HP:0001300" + }, + { + "key": "manifestation of", + "source": "HP:0001300", + "target": "MESH:D010301" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C036432" + ], + "id": "MESH:D001712", + "label": "Drug", + "name": "biperiden" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "HP:0100022", + "label": "PhenotypicFeature", + "name": "Abnormality of movement" + }, + { + "id": "HP:0001300", + "label": "PhenotypicFeature", + "name": "Parkinsonism" + }, + { + "id": "MESH:D010301", + "label": "Disease", + "name": "Parkinson Disease, Postencephalitic" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00810#mechanism-of-action" + ] + }, + { + "comment": "The disease is also known as Parkinsonism as per the original file. Muscarinic antagonists can allow dopamine levels to rebalance, which can help relieve some Parkinsonian symptoms e.g. involuntary movements. Anticholinergic drugs may also be prescribed to improve bladder dysfunction (https://pubmed.ncbi.nlm.nih.gov/20370804/).", + "directed": true, + "graph": { + "_id": "DB00810_MESH_D020734_1", + "disease": "Parkinsonian Disorders", + "disease_mesh": "MESH:D020734", + "drug": "biperiden", + "drug_mesh": "MESH:D001712", + "drugbank": "DB:DB00810" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D001712", + "target": "UniProt:P11229" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "HP:0100022" + }, + { + "key": "manifestation of", + "source": "HP:0100022", + "target": "MESH:D020734" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C036432" + ], + "id": "MESH:D001712", + "label": "Drug", + "name": "biperiden" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "HP:0100022", + "label": "PhenotypicFeature", + "name": "Abnormality of movement" + }, + { + "id": "MESH:D020734", + "label": "Disease", + "name": "Parkinsonian Disorders" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00810#mechanism-of-action", + "https://en.wikipedia.org/wiki/Muscarinic_antagonist#Effects" + ] + }, + { + "comment": "The disease is also known as Extrapyramidal disease as per the original file.", + "directed": true, + "graph": { + "_id": "DB00810_MESH_D001480_1", + "disease": "Basal Ganglia Diseases", + "disease_mesh": "MESH:D001480", + "drug": "biperiden", + "drug_mesh": "MESH:D001712", + "drugbank": "DB:DB00810" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D001712", + "target": "UniProt:P11229" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "HP:0002071" + }, + { + "key": "manifestation of", + "source": "HP:0002071", + "target": "MESH:D001480" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C036432" + ], + "id": "MESH:D001712", + "label": "Drug", + "name": "biperiden" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "HP:0002071", + "label": "PhenotypicFeature", + "name": "Abnormality of extrapyramidal motor function" + }, + { + "id": "MESH:D001480", + "label": "Disease", + "name": "Basal Ganglia Diseases" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00810#mechanism-of-action", + "https://en.wikipedia.org/wiki/Muscarinic_antagonist#Effects", + "https://en.wikipedia.org/wiki/Extrapyramidal_symptoms#Treatment" + ] + }, + { + "comment": "UBERON:0003956 includes the uveoscleral network as well as other canals for aqueous humor drainage. The uveoscleral network is the structure that seems to be affected by alpha adrenergic agonists, such as brimonidine, specially in long-term treatments (i.e. chronic dosing).", + "directed": true, + "graph": { + "_id": "DB00484_MESH_D005902_2", + "disease": "Open-angle glaucoma", + "disease_mesh": "MESH:D005902", + "drug": "brimonidine", + "drug_mesh": "MESH:D000068438", + "drugbank": "DB:DB00484" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D000068438", + "target": "UniProt:P08913" + }, + { + "key": "increases activity of", + "source": "MESH:D000068438", + "target": "UniProt:P18089" + }, + { + "key": "increases activity of", + "source": "MESH:D000068438", + "target": "UniProt:P18825" + }, + { + "key": "participates in", + "source": "UniProt:P08913", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P18089", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P18825", + 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"label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "CHEBI:16521", + "label": "ChemicalSubstance", + "name": "lanosterol" + }, + { + "id": "GO:0009277", + "label": "CellularComponent", + "name": "fungal-type cell wall" + }, + { + "id": "taxonomy:5052", + "label": "OrganismTaxon", + "name": "Aspergillus sp." + }, + { + "id": "MESH:D001228", + "label": "Disease", + "name": "Aspergillosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06636#mechanism-of-action", + "https://en.wikipedia.org/wiki/Isavuconazonium#Pharmacology" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06636_MESH_D009091_1", + "disease": "Mucormycosis", + "disease_mesh": "MESH:D009091", + "drug": "isavuconazonium", + "drug_mesh": "MESH:C508735", + "drugbank": "DB:DB06636" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C508735", + "target": "Pfam:PF00067" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00067", + "target": "GO:0008398" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00067", + "target": "GO:0006696" + }, + { + "key": "positively correlated with", + "source": "GO:0008398", + "target": "CHEBI:16933" + }, + { + "key": "increases abundance of", + "source": "GO:0006696", + "target": "CHEBI:16933" + }, + { + "key": "negatively correlated with", + "source": "GO:0008398", + "target": "CHEBI:16521" + }, + { + "key": "decreases abundance of", + "source": "GO:0006696", + "target": "CHEBI:16521" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:16521", + "target": "GO:0009277" + }, + { + "key": "contributes to", + "source": "CHEBI:16933", + "target": "GO:0009277" + }, + { + "key": "in taxon", + "source": "GO:0009277", + "target": "taxonomy:4827" + }, + { + "key": "causes", + "source": "taxonomy:4827", + "target": "MESH:D009091" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C508735", + "label": "Drug", + "name": "isavuconazonium" + }, + { + "id": "Pfam:PF00067", + "label": "GeneFamily", + "name": "Cytochrome P450" + }, + { + "id": "GO:0008398", + "label": "MolecularActivity", + "name": "sterol 14-demethylase activity" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "CHEBI:16521", + "label": "ChemicalSubstance", + "name": "lanosterol" + }, + { + "id": "GO:0009277", + "label": "CellularComponent", + "name": "fungal-type cell wall" + }, + { + "id": "taxonomy:4827", + "label": "OrganismTaxon", + "name": "Mucorales" + }, + { + "id": "MESH:D009091", + "label": "Disease", + "name": "Mucormycosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06636#mechanism-of-action", + "https://en.wikipedia.org/wiki/Isavuconazonium#Pharmacology", + "https://en.wikipedia.org/wiki/Mucormycosis#Treatment" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09265_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MESH:D003924", + "drug": "lixisenatide", + "drug_mesh": "MESH:C479460", + "drugbank": "DB:DB09265" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C479460", + "target": "UniProt:P43220" + }, + { + "key": "participates in", + "source": "UniProt:P43220", + "target": "reactome:R-HSA-381676" + }, + { + "key": "participates in", + "source": "UniProt:P43220", + "target": "reactome:R-HSA-418555" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-418555", + "target": "GO:0014808" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-381676", + "target": "GO:0014808" + }, + { + "key": "positively correlated with", + "source": "GO:0014808", + "target": "GO:0030073" + }, + { + "key": "negatively correlated with", + "source": "GO:0030073", + "target": "MESH:D003924" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C479460", + "label": "Drug", + "name": "lixisenatide" + }, + { + "id": "UniProt:P43220", + "label": "Protein", + "name": "Glucagon-like peptide 1 receptor" + }, + { + "id": "UniProt:P43220", + "label": "Protein", + "name": "Glucagon-like peptide 1 receptor" + }, + { + "id": "reactome:R-HSA-381676", + "label": "Pathway", + "name": "Glucagon-like Peptide-1 (GLP1) regulates insulin secretion" + }, + { + "id": "reactome:R-HSA-418555", + "label": "Pathway", + "name": "G alpha (s) signalling events" + }, + { + "id": "GO:0014808", + "label": "BiologicalProcess", + "name": "release of sequestered calcium ion into cytosol by sarcoplasmic reticulum" + }, + { + "id": "GO:0030073", + "label": "BiologicalProcess", + "name": "insulin secretion" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09265", + "https://en.wikipedia.org/wiki/Lixisenatide#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Glucagon-like_peptide-1_receptor#Function_and_therapeutic_potential" + ] + }, + { + "comment": "There seems to be no evidence linking sulfacetamide as treatment for Amebic infection. Sulfacetamide is an antibacterial type of drug (https://www.kegg.jp/entry/D05947) and it seems the drug has some anti-inflammatory role. Since the disease could lead to inflammation and ulceration of the colon perhaps there could be an anti-inflammation hypothesis but the drug is mainly available as eye drops and lotions (https://en.wikipedia.org/wiki/Sulfacetamide#Available_forms), and therefore unavailable to treat the intestinal tract in such formats. Note there are few amoeba species that may cause skin or eye issues (https://en.wikipedia.org/wiki/Acanthamoeba_keratitis), in which case sulfacetamide could potentially be an indication, albeit no evidence to prove this assumption has been found in databases or literature.", + "directed": true, + "graph": { + "_id": "DB00634_MESH_D000562_1", + "disease": "Amebic infection", + "disease_mesh": "MESH:D000562", + "drug": "sulfacetamide", + "drug_mesh": "MESH:D013409", + "drugbank": "DB:DB00634" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D013409", + "target": "GO:0006954" + }, + { + "key": "caused by", + "source": "GO:0006954", + "target": "MESH:D000562" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013409", + "label": "Drug", + "name": "sulfacetamide" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D000562", + "label": "Disease", + "name": "Amebic infection" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00634#mechanism-of-action" + ] + }, + { + "comment": "The action of the drug on 5-HT2 receptors is of an inverse agonist (https://en.wikipedia.org/wiki/Inverse_agonist). The dopamine neurons are located in the mesolimbic dopaminergic system (BTO:0005591), which is a component pathway of the medial forebrain bundle (UBERON:0001910)(https://en.wikipedia.org/wiki/Medial_forebrain_bundle#Anatomy).", + "directed": true, + "graph": { + "_id": "DB08922_MESH_D012559_1", + "disease": "Schizophrenia", + "disease_mesh": "MESH:D012559", + "drug": "perospirone", + "drug_mesh": "MESH:C065533", + "drugbank": "DB:DB08922" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C065533", + "target": "UniProt:P08908" + }, + { + "key": "decreases activity of", + "source": "MESH:C065533", + "target": "UniProt:P14416" + }, + { + "key": "decreases activity of", + "source": "MESH:C065533", + "target": "UniProt:P28223" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P08908", + "target": "HP:0000739" + }, + { + "key": "positively regulates", + "source": "UniProt:P28223", + "target": "GO:0014046" + }, + { + "key": "positively regulates", + "source": "UniProt:P28223", + "target": "GO:0014047" + }, + { + "key": "positively correlated with", + "source": "GO:0014047", + "target": "GO:0004952" + }, + { + "key": "positively correlated with", + "source": "GO:0004952", + "target": "HP:0000709" + }, + { + "key": "positively regulates", + "source": "UniProt:P14416", + "target": "GO:0014046" + }, + { + "key": "increases abundance of", + "source": "GO:0014046", + "target": "CHEBI:18243" + }, + { + "key": "located in", + "source": "CHEBI:18243", + "target": "UBERON:0001910" + }, + { + "key": "correlated with", + "source": "UBERON:0001910", + "target": "HP:0000709" + }, + { + "key": "positively correlated with", + "source": "HP:0000709", + "target": "MESH:D012559" + }, + { + "key": "located in", + "source": "CHEBI:18243", + "target": "UBERON:0009834" + }, + { + "key": "correlated with", + "source": "UBERON:0009834", + "target": "HP:0100543" + }, + { + "key": "correlated with", + "source": "UBERON:0009834", + "target": "HP:0030213" + }, + { + "key": "correlated with", + "source": "UBERON:0009834", + "target": "HP:0012154" + }, + { + "key": "correlated with", + "source": "UBERON:0009834", + "target": "HP:0002465" + }, + { + "key": "correlated with", + "source": "UBERON:0009834", + "target": "HP:0000741" + }, + { + "key": "manifestation of", + "source": "HP:0100543", + "target": "MESH:D012559" + }, + { + "key": "manifestation of", + "source": "HP:0030213", + "target": "MESH:D012559" + }, + { + "key": "manifestation of", + "source": "HP:0012154", + "target": "MESH:D012559" + }, + { + "key": "manifestation of", + "source": "HP:0002465", + "target": "MESH:D012559" + }, + { + "key": "manifestation of", + "source": "HP:0000741", + "target": "MESH:D012559" + }, + { + "key": "manifestation of", + "source": "HP:0000739", + "target": "MESH:D012559" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C065533", + "label": "Drug", + "name": "perospirone" + }, + { + "id": "UniProt:P28223", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 2A" + }, + { + "id": "UniProt:P14416", + "label": "Protein", + "name": "D(2) dopamine receptor" + }, + { + "id": "UniProt:P08908", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 1A" + }, + { + "id": "GO:0014046", + "label": "BiologicalProcess", + "name": "dopamine secretion" + }, + { + "id": "GO:0014047", + "label": "BiologicalProcess", + "name": "glutamate secretion" + }, + { + "id": "GO:0004952", + "label": "MolecularActivity", + "name": "dopamine neurotransmitter receptor activity" + }, + { + "id": "CHEBI:18243", + "label": "ChemicalSubstance", + "name": "dopamine" + }, + { + "id": "UBERON:0009834", + "label": "GrossAnatomicalStructure", + "name": "dorsolateral prefrontal cortex" + }, + { + "id": "UBERON:0001910", + "label": "GrossAnatomicalStructure", + "name": "medial forebrain bundle" + }, + { + "id": "HP:0100543", + "label": "PhenotypicFeature", + "name": "Cognitive impairment" + }, + { + "id": "HP:0030213", + "label": "PhenotypicFeature", + "name": "Emotional blunting" + }, + { + "id": "HP:0012154", + "label": "PhenotypicFeature", + "name": "Anhedonia" + }, + { + "id": "HP:0002465", + "label": "PhenotypicFeature", + "name": "Poor speech" + }, + { + "id": "HP:0000741", + "label": "PhenotypicFeature", + "name": "Apathy" + }, + { + "id": "HP:0000709", + "label": "PhenotypicFeature", + "name": "Psychosis" + }, + { + "id": "HP:0000739", + "label": "PhenotypicFeature", + "name": "Anxiety" + }, + { + "id": "MESH:D012559", + "label": "Disease", + "name": "Schizophrenia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08922#mechanism-of-action", + "https://en.wikipedia.org/wiki/Antipsychotic#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Mesolimbic_pathway#Relation_to_neurological_and_psychological_disorders", + "https://en.wikipedia.org/wiki/Schizophrenia#Signs_and_symptoms", + "https://en.wikipedia.org/wiki/Dopaminergic_pathways#Pathways", + "https://en.wikipedia.org/wiki/Mesocortical_pathway", + "https://en.wikipedia.org/wiki/Dopamine_hypothesis_of_schizophrenia#Introduction", + "https://en.wikipedia.org/wiki/Atypical_antipsychotic#Pharmacology", + "https://en.wikipedia.org/wiki/5-HT1A_receptor#Function" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00180_MESH_D001249_1", + "disease": "Asthma", + "disease_mesh": "MESH:D001249", + "drug": "Flunisolide", + "drug_mesh": "MESH:C007734", + "drugbank": "DB:DB00180" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C007734", + "target": "UniProt:P04150" + }, + { + "key": "increases activity of", + "source": "UniProt:P04150", + "target": "UniProt:P04083" + }, + { + "key": "decreases activity of", + "source": "UniProt:P04083", + "target": "UniProt:P47712" + }, + { + "key": "negatively regulates", + "source": "UniProt:P04083", + "target": "UniProt:P35354" + }, + { + "key": "increases abundance of", + "source": "UniProt:P47712", + "target": 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+ }, + { + "id": "UniProt:P04150", + "label": "Protein", + "name": "Glucocorticoid receptor" + }, + { + "id": "UniProt:P04083", + "label": "Protein", + "name": "Annexin A1" + }, + { + "id": "UniProt:P47712", + "label": "Protein", + "name": "Cytosolic phospholipase A2" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "Inflammatory response" + }, + { + "id": "MESH:D017998", + "label": "ChemicalSubstance", + "name": "Leukotriene D4" + }, + { + "id": "GO:0006939", + "label": "BiologicalProcess", + "name": "Smooth muscle contraction" + }, + { + "id": "GO:0043117", + "label": "BiologicalProcess", + "name": "Positive regulation of vascular permeability" + }, + { + "id": "MESH:D001249", + "label": "Disease", + "name": "Asthma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00180", + "https://en.wikipedia.org/wiki/Leukotriene", + "https://en.wikipedia.org/wiki/Asthma" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00180_MESH_D065631_1", + "disease": "Allergic rhinitis", + "disease_mesh": "MESH:D065631", + "drug": "Flunisolide", + "drug_mesh": "MESH:C007734", + "drugbank": "DB:DB00180" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C007734", + "target": "UniProt:P04150" + }, + { + "key": "increases activity of", + "source": "UniProt:P04150", + "target": "UniProt:P04083" + }, + { + "key": "decreases activity of", + "source": "UniProt:P04083", + "target": "UniProt:P47712" + }, + { + "key": "negatively regulates", + "source": "UniProt:P04083", + "target": "UniProt:P35354" + }, + { + "key": "increases abundance of", + "source": "UniProt:P47712", + "target": "MESH:D011453" + }, + { + "key": "increases abundance of", + "source": "UniProt:P35354", + "target": "MESH:D011453" + }, + { + "key": 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"comment": "The precise mechanism of action of ropinirole as a treatment for Restless Legs Syndrome is unknown, however, it is believed to be related to its ability to stimulate dopamine receptors", + "directed": true, + "graph": { + "_id": "DB00268_MESH_D012148_1", + "disease": "Restless legs", + "disease_mesh": "MESH:D012148", + "drug": "Ropinirole", + "drug_mesh": "MESH:C046649", + "drugbank": "DB:DB00268" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:C046649", + "target": "UniProt:P14416" + }, + { + "key": "positively regulates", + "source": "MESH:C046649", + "target": "UniProt:P35462" + }, + { + "key": "positively correlated with", + "source": "UniProt:P14416", + "target": "MESH:D004298" + }, + { + "key": "positively correlated with", + "source": "UniProt:P35462", + "target": "MESH:D004298" + }, + { + "key": "participates in", + "source": "MESH:D004298", + "target": "GO:0061527" + }, + { + "key": "disrupted by", + "source": "GO:0061527", + "target": 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"drug": "Asenapine", + "drug_mesh": "MESH:C522667", + "drugbank": "DB:DB06216" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C522667", + "target": "UniProt:P28223" + }, + { + "key": "decreases activity of", + "source": "MESH:C522667", + "target": "UniProt:P14416" + }, + { + "key": "positively correlated with", + "source": "UniProt:P28223", + "target": "HP:0000716" + }, + { + "key": "positively correlated with", + "source": "UniProt:P14416", + "target": "reactome:R-HSA-390651" + }, + { + "key": "occurs in", + "source": "HP:0000716", + "target": "MESH:D012559" + }, + { + "key": "correlated with", + "source": "reactome:R-HSA-390651", + "target": "MESH:D012559" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C522667", + "label": "Drug", + "name": "Asenapine" + }, + { + "id": "UniProt:P28223", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 2A" + }, + { + "id": "UniProt:P14416", + "label": "Protein", + "name": "D(2) dopamine receptor" + }, + { + "id": "HP:0000716", + "label": "PhenotypicFeature", + "name": "Depressivity" + }, + { + "id": "reactome:R-HSA-390651", + "label": "Pathway", + "name": "Dopamine receptors" + }, + { + "id": "MESH:D012559", + "label": "Disease", + "name": "Schizophrenia" + } + ], + "reference": [ + "https://pubmed.ncbi.nlm.nih.gov/27356921/", + "https://go.drugbank.com/drugs/DB06216#BE0000451", + "https://en.wikipedia.org/wiki/5-HT2A_receptor" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06439_MESH_D012127_1", + "disease": "Respiratory distress syndrome in the newborn", + "disease_mesh": "MESH:D012127", + "drug": "Tyloxapol", + "drug_mesh": "MESH:C016811", + "drugbank": "DB:DB06439" + }, + "links": [ + { + "key": "capable of", + "source": "MESH:C016811", + "target": "GO:0043129" + }, + { + "key": "negatively correlated with", + "source": "GO:0043129", + "target": "MESH:D012127" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C016811", + "label": "Drug", + "name": "Tyloxapol" + }, + { + "id": "GO:0043129", + "label": "BiologicalProcess", + "name": "Surfactant homeostasis" + }, + { + "id": "MESH:D012127", + "label": "Disease", + "name": "Respiratory distress syndrome in the newborn" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06439", + "https://en.wikipedia.org/wiki/Infant_respiratory_distress_syndrome", + "https://en.wikipedia.org/wiki/Tyloxapol" + ] + }, + { + "comment": "Withdrawn. The mechanism of action of aurothioglucose is not well elucidated.", + "directed": true, + "graph": { + "_id": "DB09121_MESH_D001172_1", + "disease": "Rheumatoid arthritis", + "disease_mesh": "MESH:D001172", + "drug": "Aurothioglucose", + "drug_mesh": "MESH:D006051", + "drugbank": "DB:DB09121" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D006051", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MESH:D001172" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D006051", + "label": "Drug", + "name": "Aurothioglucose" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "Inflammatory response" + }, + { + "id": "MESH:D001172", + "label": "Disease", + "name": "Rheumatoid arthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09121", + "https://en.wikipedia.org/wiki/Gold_salts#Mechanism_in_arthritis" + ] + }, + { + "comment": "Withdrawn. The mechanism of action of aurothioglucose is not well elucidated.", + "directed": true, + "graph": { + "_id": "DB09121_MESH_D001171_1", + "disease": "Juvenile rheumatoid arthritis", + "disease_mesh": "MESH:D001171", + "drug": "Aurothioglucose", + "drug_mesh": "MESH:D006051", + "drugbank": "DB:DB09121" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D006051", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MESH:D001171" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D006051", + "label": "Drug", + "name": "Aurothioglucose" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "Inflammatory response" + }, + { + "id": "MESH:D001171", + "label": "Disease", + "name": "Juvenile rheumatoid arthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09121", + "https://en.wikipedia.org/wiki/Gold_salts#Mechanism_in_arthritis" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09270_MESH_D006333_1", + "disease": "Congestive heart failure", + "disease_mesh": "MESH:D006333", + "drug": "Ubidecarenone", + "drug_mesh": "MESH:C010524", + "drugbank": "DB:DB09270" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C010524", + "target": "UniProt:P56181" + }, + { + "key": "increases activity of", + "source": "MESH:C010524", + "target": "UniProt:P31040" + }, + { + "key": "positively regulates", + "source": "UniProt:P56181", + "target": "GO:0042773" + }, + { + "key": "positively regulates", + "source": "UniProt:P31040", + "target": "GO:0042773" + }, + { + "key": "increases abundance of", + "source": "GO:0042773", + "target": "CHEBI:15422" + }, + { + "key": "participates in", + "source": "CHEBI:15422", + "target": "GO:0060047" + }, + { + "key": "negatively correlated with", + "source": "GO:0060047", + "target": "MESH:D006333" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C010524", + "label": "Drug", + "name": "Ubidecarenone" + }, + { + "id": "UniProt:P56181", + "label": "Protein", + "name": "NADH dehydrogenase [ubiquinone] flavoprotein 3, mitochondrial" + }, + { + "id": "UniProt:P31040", + "label": "Protein", + "name": "Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial" + }, + { + "id": "GO:0042773", + "label": "BiologicalProcess", + "name": "ATP synthesis coupled electron transport" + }, + { + "id": "CHEBI:15422", + "label": "ChemicalSubstance", + "name": "ATP" + }, + { + "id": "GO:0060047", + "label": "BiologicalProcess", + "name": "Heart contraction" + }, + { + "id": "MESH:D006333", + "label": "Drug", + "name": "Congestive heart failure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09270#BE0000176" + ] + }, + { + "comments": "Although the mechanism of action has not been determined, orphenadrine appears to be a nonselective muscarinic antagonist https://en.wikipedia.org/wiki/Orphenadrine#Pharmacology Parkinsonian syndromes are often the consequence of a disturbed balance between cholinergic and dopaminergic neurotransmission in the basal ganglia caused by a decrease in dopamine. Anicholinergic drugs restore the physiological equilibrium and has a favourable effect on the rigidity and tremor of and Parkinsonian syndromes https://www.cell.com/neuron/fulltext/S0896-6273(19)30563-X.", + "directed": true, + "graph": { + "_id": "DB01173_MESH_D020734_2", + "disease": "Parkinsonism", + "disease_mesh": "MESH:D020734", + "drug": "Orphenadrine", + "drug_mesh": "MESH:D009966", + "drugbank": "DB:DB01173" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D009966", + "target": "reactome:R-HSA-390648" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-390648", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "MESH:D020734" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009966", + "label": "Drug", + "name": "Orphenadrine" + }, + { + "id": "reactome:R-HSA-390648", + "label": "Pathway", + "name": "Muscarinic acetylcholine receptors" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "Synaptic transmission, cholinergic" + }, + { + "id": "MESH:D020734", + "label": "Disease", + "name": "Parkinsonism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01173", + "https://en.wikipedia.org/wiki/Parkinsonism" + ] + }, + { + "comment": "Orphenadrine works centrally and interferes with reflex pathways for pain and skeletal muscle contraction. The precise mechanism of action of orphenadrine is not known, but it appears to indirectly relieve muscle spasm through central atropine-like effects, although its mild antihistaminic activity may have a role.", + "directed": true, + "graph": { + "_id": "DB01173_MESH_D009128_2", + "disease": "Spasticity", + "disease_mesh": "MESH:D009128", + "drug": "Orphenadrine", + "drug_mesh": "MESH:D009966", + "drugbank": "DB:DB01173" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D009966", + "target": "MESH:D009128" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009966", + "label": "Drug", + "name": "Orphenadrine" + }, + { + "id": "MESH:D009128", + "label": "Disease", + "name": "Spasticity" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01173#BE0000396", + "https://pubmed.ncbi.nlm.nih.gov/1864455/", + "https://pubmed.ncbi.nlm.nih.gov/25050056/" + ] + }, + { + "comments": "Although the mechanism of action has not been determined, orphenadrine appears to be a nonselective muscarinic antagonist https://en.wikipedia.org/wiki/Orphenadrine#Pharmacology Parkinsonian syndromes are often the consequence of a disturbed balance between cholinergic and dopaminergic neurotransmission in the basal ganglia caused by a decrease in dopamine. Muscarinic antagonists restore the physiological equilibrium and has a favourable effect on the rigidity and tremor of and Parkinsonian syndromes https://www.cell.com/neuron/fulltext/S0896-6273(19)30563-X.", + "directed": true, + "graph": { + "_id": "DB01173_MESH_D020734_3", + "disease": "Parkinsonism", + "disease_mesh": "MESH:D020734", + "drug": "Orphenadrine", + "drug_mesh": "MESH:D009966", + "drugbank": "DB:DB01173" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D009966", + "target": "reactome:R-HSA-390648" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-390648", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "MESH:D020734" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009966", + "label": "Drug", + "name": "Orphenadrine" + }, + { + "id": "reactome:R-HSA-390648", + "label": "Pathway", + "name": "Muscarinic acetylcholine receptors" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "Synaptic transmission, cholinergic" + }, + { + "id": "MESH:D020734", + "label": "Disease", + "name": "Parkinsonism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01173", + "https://en.wikipedia.org/wiki/Parkinsonism" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB08808_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MESH:D006973", + "drug": "bupranolol", + "drug_mesh": "MESH:D002046", + "drugbank": "DB:DB08808" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D002046", + "target": "InterPro:cd15058" + }, + { + "key": "positively regulates", + "source": "InterPro:cd15058", + "target": "UBERON:0000013" + }, + { + "key": "positively correlated with", + "source": "UBERON:0000013", + "target": "UBERON:0018229" + }, + { + "key": "positively correlated with", + "source": "UBERON:0018229", + "target": "HP:0032263" + }, + { + "key": "positively correlated with", + "source": "HP:0032263", + "target": "MESH:D006973" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002046", + "label": "Drug", + "name": "bupranolol" + }, + { + "id": "InterPro:cd15058", + "label": "GeneFamily", + "name": "beta adrenergic receptors (adenoceptors), member of the class A family of seven-transmembrane G protein-coupled receptors" + }, + { + "id": "UBERON:0000013", + "label": "GrossAnatomicalStructure", + "name": "sympathetic nervous system" + }, + { + "id": "UBERON:0018229", + "label": "GrossAnatomicalStructure", + "name": "renin-angiotensin system" + }, + { + "id": "HP:0032263", + "label": "PhenotypicFeature", + "name": "Increased blood pressure" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08808#mechanism-of-action", + "https://en.wikipedia.org/wiki/Beta_blocker#%CE%B2-receptor_antagonism" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB08808_MESH_D005901_1", + "disease": "Glaucoma", + "disease_mesh": "MESH:D005901", + "drug": "bupranolol", + "drug_mesh": "MESH:D002046", + "drugbank": "DB:DB08808" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D002046", + "target": "InterPro:cd15058" + }, + { + "key": "positively correlated with", + "source": "InterPro:cd15058", + "target": "HP:0007906" + }, + { + "key": "positively correlated with", + "source": "HP:0007906", + "target": "MESH:D005901" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002046", + "label": "Drug", + "name": "bupranolol" + }, + { + "id": "InterPro:cd15058", + "label": "GeneFamily", + "name": "beta adrenergic receptors (adenoceptors), member of the class A family of seven-transmembrane G protein-coupled receptors" + }, + { + "id": "HP:0007906", + "label": "PhenotypicFeature", + "name": "Ocular Hypertension" + }, + { + "id": "MESH:D005901", + "label": "Disease", + "name": "Glaucoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08808#mechanism-of-action" + ] + }, + { + "comment": "Disease is also known as Infection by Onchocerca volvulus as per the original file.", + "directed": true, + "graph": { + "_id": "DB00602_MESH_D009855_2", + "disease": "Onchocerciasis", + "disease_mesh": "MESH:D009855", + "drug": "ivermectin", + "drug_mesh": "MESH:D007559", + "drugbank": "DB:DB00602" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D007559", + "target": "InterPro:IPR015680" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR015680", + "target": "GO:0005254" + }, + { + "key": "positively correlated with", + "source": "GO:0005254", + "target": "GO:0060081" + }, + { + "key": "negatively regulates", + "source": "GO:0060081", + "target": "GO:0099565" + }, + { + "key": "in taxon", + "source": "GO:0099565", + "target": "taxonomy:6282" + }, + { + "key": "causes", + "source": "taxonomy:6282", + "target": "MESH:D009855" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007559", + "label": "Drug", + "name": "ivermectin" + }, + { + "id": "InterPro:IPR015680", + "label": "GeneFamily", + "name": "Glutamate-Gated Chloride Channel" + }, + { + "id": "GO:0005254", + "label": "MolecularActivity", + "name": "chloride channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0099565", + "label": "BiologicalProcess", + "name": "chemical synaptic transmission, postsynaptic" + }, + { + "id": "taxonomy:6282", + "label": "OrganismTaxon", + "name": "Onchocerca volvulus" + }, + { + "id": "MESH:D009855", + "label": "Disease", + "name": "Onchocerciasis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Ivermectin#Mechanism_of_action", + "https://go.drugbank.com/drugs/DB00602#mechanism-of-action", + "https://en.wikipedia.org/wiki/Onchocerciasis#Ivermectin" + ] + }, + { + "comment": "Disease is denoted Infection by Strongyloides in the original file.", + "directed": true, + "graph": { + "_id": "DB00602_MESH_D013322_1", + "disease": "Strongyloidiasis", + "disease_mesh": "MESH:D013322", + "drug": "ivermectin", + "drug_mesh": "MESH:D007559", + "drugbank": "DB:DB00602" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D007559", + "target": "InterPro:IPR015680" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR015680", + "target": "GO:0005254" + }, + { + "key": "positively correlated with", + "source": "GO:0005254", + "target": "GO:0060081" + }, + { + "key": "negatively regulates", + "source": "GO:0060081", + "target": "GO:0099565" + }, + { + "key": "in taxon", + "source": "GO:0099565", + "target": "taxonomy:6248" + }, + { + "key": "causes", + "source": "taxonomy:6248", + "target": "MESH:D013322" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007559", + "label": "Drug", + "name": "ivermectin" + }, + { + "id": "InterPro:IPR015680", + "label": "GeneFamily", + "name": "Glutamate-Gated Chloride Channel" + }, + { + "id": "GO:0005254", + "label": "MolecularActivity", + "name": "chloride channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0099565", + "label": "BiologicalProcess", + "name": "chemical synaptic transmission, postsynaptic" + }, + { + "id": "taxonomy:6248", + "label": "OrganismTaxon", + "name": "Strongyloides stercoralis" + }, + { + "id": "MESH:D013322", + "label": "Disease", + "name": "Strongyloidiasis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Ivermectin#Mechanism_of_action", + "https://go.drugbank.com/drugs/DB00602#mechanism-of-action", + "https://en.wikipedia.org/wiki/Strongyloidiasis#Treatment" + ] + }, + { + "comment": "Balsalazide is a prodrug and it releases mesalazine in the large intestine, the active site of ulcerative colitis (https://en.wikipedia.org/wiki/Balsalazide https://en.wikipedia.org/wiki/Mesalazine#Chemistry).", + "directed": true, + "graph": { + "_id": "DB01014_MESH_D003093_1", + "disease": "Ulcerative colitis", + "disease_mesh": "MESH:D003093", + "drug": "balsalazide", + "drug_mesh": "MESH:C038637", + "drugbank": "DB:DB01014" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C038637", + "target": "MESH:D019804" + }, + { + "key": "decreases activity of", + "source": "MESH:D019804", + "target": "UniProt:P35354" + }, + { + "key": "decreases activity of", + "source": "MESH:D019804", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "MESH:D019804", + "target": "UniProt:O15111" + }, + { + "key": "decreases activity of", + "source": "MESH:D019804", + "target": "UniProt:O14920" + }, + { + "key": "positively regulates", + "source": "UniProt:O14920", + "target": "GO:0007249" + }, + { + "key": "positively regulates", + "source": "UniProt:O15111", + "target": "GO:0007249" + }, + { + "key": "positively correlated with", + "source": "GO:0007249", + "target": "GO:0006954" + }, + { + "key": "decreases activity of", + "source": "MESH:D019804", + "target": "UniProt:P09917" + }, + { + "key": "increases activity of", + "source": "MESH:D019804", + "target": "UniProt:P37231" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P37231", + "target": "reactome:R-HSA-1169091" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-1169091", + "target": "GO:0006954" + }, + { + "key": "participates in", + "source": "UniProt:P09917", + "target": "reactome:R-HSA-2142691" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2162123", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2142691", + "target": "GO:0006954" + }, + { + "key": "located in", + "source": "GO:0006954", + "target": "UBERON:0001052" + }, + { + "key": "located in", + "source": "GO:0006954", + "target": "UBERON:0001155" + }, + { + "key": "location of", + "source": "UBERON:0001052", + "target": "MESH:D003093" + }, + { + "key": "location of", + "source": "UBERON:0001155", + "target": "MESH:D003093" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C038637", + "label": "Drug", + "name": "balsalazide" + }, + { + "id": "MESH:D019804", + "label": "ChemicalSubstance", + "name": "Mesalamine" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "UniProt:P09917", + "label": "Protein", + "name": "Polyunsaturated fatty acid 5-lipoxygenase" + }, + { + "id": "UniProt:P37231", + "label": "Protein", + "name": "Peroxisome proliferator-activated receptor gamma" + }, + { + "id": "UniProt:O15111", + "label": "Protein", + "name": "Inhibitor of nuclear factor kappa-B kinase subunit alpha" + }, + { + "id": "UniProt:O14920", + "label": "Protein", + "name": "Inhibitor of nuclear factor kappa-B kinase subunit beta" + }, + { + "id": "GO:0007249", + "label": "BiologicalProcess", + "name": "I-kappaB kinase/NF-kappaB signaling" + }, + { + "id": "reactome:R-HSA-2142691", + "label": "Pathway", + "name": "Synthesis of Leukotrienes (LT) and Eoxins (EX)" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "reactome:R-HSA-1169091", + "label": "Pathway", + "name": "Activation of NF-kappaB in B cells" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "UBERON:0001052", + "label": "GrossAnatomicalStructure", + "name": "rectum" + }, + { + "id": "UBERON:0001155", + "label": "GrossAnatomicalStructure", + "name": "colon" + }, + { + "id": "MESH:D003093", + "label": "Disease", + "name": "Ulcerative colitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01014#mechanism-of-action", + "https://go.drugbank.com/drugs/DB00244#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/20151072/", + "https://go.drugbank.com/drugs/DB00244#BE0004655", + "https://en.wikipedia.org/wiki/CHUK#Clinical_significance", + "https://en.wikipedia.org/wiki/IKK2#Clinical_significance" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01224_MESH_D012559_1", + "disease": "Schizophrenia", + "disease_mesh": "MESH:D012559", + "drug": "quetiapine", + "drug_mesh": "MESH:D000069348", + "drugbank": "DB:DB01224" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D000069348", + "target": "UniProt:P14416" + }, + { + "key": "decreases activity of", + "source": "MESH:D000069348", + "target": "UniProt:P28223" + }, + { + "key": "positively regulates", + "source": "UniProt:P28223", + "target": "GO:0014046" + }, + { + "key": "positively regulates", + "source": "UniProt:P14416", + "target": "GO:0014046" + }, + { + "key": "increases abundance of", + "source": "GO:0014046", + "target": "CHEBI:18243" + }, + { + "key": "located in", + "source": "CHEBI:18243", + "target": "UBERON:0001910" + }, + { + "key": "correlated with", + "source": "UBERON:0001910", + "target": "HP:0000709" + }, + { + "key": "positively correlated with", + "source": "HP:0000709", + "target": "MESH:D012559" + }, + { + "key": "located in", + "source": "CHEBI:18243", + "target": "UBERON:0009834" + }, + { + "key": "correlated with", + "source": "UBERON:0009834", + "target": "HP:0100543" + }, + { + "key": "correlated with", + "source": "UBERON:0009834", + "target": "HP:0030213" + }, + { + "key": "correlated with", + "source": "UBERON:0009834", + "target": "HP:0012154" + }, + { + "key": "correlated with", + "source": "UBERON:0009834", + "target": "HP:0002465" + }, + { + "key": "correlated with", + "source": "UBERON:0009834", + "target": "HP:0000741" + }, + { + "key": "positively correlated with", + "source": "HP:0100543", + "target": "MESH:D012559" + }, + { + "key": "positively correlated with", + "source": "HP:0030213", + "target": "MESH:D012559" + }, + { + "key": "positively correlated with", + "source": "HP:0012154", + "target": "MESH:D012559" + }, + { + "key": "positively correlated with", + "source": "HP:0002465", + "target": "MESH:D012559" + }, + { + "key": "positively correlated with", + "source": "HP:0000741", + "target": "MESH:D012559" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069348", + "label": "Drug", + "name": "quetiapine" + }, + { + "id": "UniProt:P28223", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 2A" + }, + { + "id": "UniProt:P14416", + "label": "Protein", + "name": "D(2) dopamine receptor" + }, + { + "id": "GO:0014046", + "label": "BiologicalProcess", + "name": "dopamine secretion" + }, + { + "id": "CHEBI:18243", + "label": "ChemicalSubstance", + "name": "dopamine" + }, + { + "id": "UBERON:0009834", + "label": "GrossAnatomicalStructure", + "name": "dorsolateral prefrontal cortex" + }, + { + "id": "UBERON:0001910", + "label": "GrossAnatomicalStructure", + "name": "medial forebrain bundle" + }, + { + "id": "HP:0100543", + "label": "PhenotypicFeature", + "name": "Cognitive impairment" + }, + { + "id": "HP:0030213", + "label": "PhenotypicFeature", + "name": "Emotional blunting" + }, + { + "id": "HP:0012154", + "label": "PhenotypicFeature", + "name": "Anhedonia" + }, + { + "id": "HP:0002465", + "label": "PhenotypicFeature", + "name": "Poor speech" + }, + { + "id": "HP:0000741", + "label": "PhenotypicFeature", + "name": "Apathy" + }, + { + "id": "HP:0000709", + "label": "PhenotypicFeature", + "name": "Psychosis" + }, + { + "id": "MESH:D012559", + "label": "Disease", + "name": "Schizophrenia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01224#mechanism-of-action", + "https://go.drugbank.com/drugs/DB01224#BE0000451", + "https://go.drugbank.com/drugs/DB01224#BE0000756" + ] + }, + { + "comment": "Imatinib also modulates other protein targets and is an indication for other malignancies (https://en.wikipedia.org/wiki/Imatinib#Medical_uses).", + "directed": true, + "graph": { + "_id": "DB00619_MESH_D015466_1", + "disease": "Chronic phase chronic myeloid leukemia", + "disease_mesh": "MESH:D015466", + "drug": "imatinib", + "drug_mesh": "MESH:D000068877", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D000068877", + "target": "MESH:D016044" + }, + { + "key": "positively regulates", + "source": "MESH:D016044", + "target": "GO:0004674" + }, + { + "key": "positively correlated with", + "source": "GO:0004674", + "target": "GO:0007266" + }, + { + "key": "positively correlated with", + "source": "GO:0007266", + "target": "GO:0008283" + }, + { + "key": "negatively correlated with", + "source": "GO:0007266", + "target": "GO:0006915" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MESH:D015466" + }, + { + "key": "negatively correlated with", + "source": "GO:0006915", + "target": "MESH:D015466" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "MESH:D016044", + "label": "Protein", + "name": "Fusion Proteins, bcr-abl" + }, + { + "id": "GO:0004674", + "label": "MolecularActivity", + "name": "protein serine/threonine kinase activity" + }, + { + "id": "GO:0007266", + "label": "BiologicalProcess", + "name": "Rho protein signal transduction" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "GO:0006915", + "label": "BiologicalProcess", + "name": "apoptotic process" + }, + { + "id": "MESH:D015466", + "label": "Disease", + "name": "Chronic phase chronic myeloid leukemia" + } + ], + "reference": [ + "https://www.cancer.gov/publications/dictionaries/cancer-drug/def/imatinib-mesylate", + "https://go.drugbank.com/drugs/DB00619#mechanism-of-action", + "https://en.wikipedia.org/wiki/Imatinib#Chronic_myelogenous_leukemia" + ] + }, + { + "comments": "The disease is denoted Blastic phase chronic myeloid leukemia in the original file.", + "directed": true, + "graph": { + "_id": "DB00619_MESH_D001752_1", + "disease": "Blast Crisis", + "disease_mesh": "MESH:D001752", + "drug": "imatinib", + "drug_mesh": "MESH:D000068877", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D000068877", + "target": "MESH:D016044" + }, + { + "key": "positively correlated with", + "source": "MESH:D016044", + "target": "GO:0007266" + }, + { + "key": "positively correlated with", + "source": "GO:0007266", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "HP:0001974" + }, + { + "key": "manifestation of", + "source": "HP:0001974", + "target": "MESH:D001752" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "MESH:D016044", + "label": "Protein", + "name": "Fusion Proteins, bcr-abl" + }, + { + "id": "GO:0007266", + "label": "BiologicalProcess", + "name": "Rho protein signal transduction" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "HP:0001974", + "label": "PhenotypicFeature", + "name": "Leukocytosis" + }, + { + "id": "MESH:D001752", + "label": "Disease", + "name": "Blast Crisis" + } + ], + "reference": [ + "https://www.cancer.gov/publications/dictionaries/cancer-drug/def/imatinib-mesylate", + "https://en.wikipedia.org/wiki/Leukocytosis#Causes", + "https://en.wikipedia.org/wiki/Chronic_myelogenous_leukemia#Chronic_phase_2" + ] + }, + { + "comment": "The disease is also known as Chronic eosinophilic leukemia as per the original file. The malignancy is driven by FIP1L1-PDGFRA fusion genes (https://en.wikipedia.org/wiki/FIP1L1#FIP1L1-PDGFRA_fusion_genes).", + "directed": true, + "graph": { + "_id": "DB00619_MESH_C580364_1", + "disease": "Pdgfra-Associated Chronic Eosinophilic Leukemia", + "disease_mesh": "MESH:C580364", + "drug": "imatinib", + "drug_mesh": "MESH:D000068877", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D000068877", + "target": "UniProt:P16234" + }, + { + "key": "positively regulates", + "source": "UniProt:P16234", + "target": "GO:0048008" + }, + { + "key": "positively correlated with", + "source": "GO:0048008", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "HP:0001880" + }, + { + "key": "manifestation of", + "source": "HP:0001880", + "target": "MESH:C580364" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "UniProt:P16234", + "label": "Protein", + "name": "Platelet-derived growth factor receptor alpha" + }, + { + "id": "GO:0048008", + "label": "BiologicalProcess", + "name": "platelet-derived growth factor receptor signaling pathway" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "HP:0001880", + "label": "PhenotypicFeature", + "name": "Eosinophilia" + }, + { + "id": "MESH:C580364", + "label": "Disease", + "name": "Pdgfra-Associated Chronic Eosinophilic Leukemia" + } + ], + "reference": [ + "https://www.cancer.gov/publications/dictionaries/cancer-drug/def/imatinib-mesylate", + "https://go.drugbank.com/drugs/DB00619#BE0000205", + "https://go.drugbank.com/drugs/DB00619#BE0000852", + "https://en.wikipedia.org/wiki/Chronic_eosinophilic_leukemia", + "https://en.wikipedia.org/wiki/Eosinophilia#Chronic_eosinophilic_leukemia_(NOS)", + "https://en.wikipedia.org/wiki/Imatinib#Other" + ] + }, + { + "comment": "The disease is also known as Idiopathic hypereosinophilic syndrome as per the original file. Treatment with imatinib is indicated for patients who have a PDGFRA-FIP1L1 chimera, where PDGR, a tyrosine kinase (https://en.wikipedia.org/wiki/Hypereosinophilic_syndrome#Diagnosis) and an oncogene (https://en.wikipedia.org/wiki/Oncogene#Classification) is fused with FIP1L1, giving rise to a PDGFRA-FIP1L1 chimera.", + "directed": true, + "graph": { + "_id": "DB00619_MESH_D017681_1", + "disease": "Hypereosinophilic Syndrome", + "disease_mesh": "MESH:D017681", + "drug": "imatinib", + "drug_mesh": "MESH:D000068877", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D000068877", + "target": "UniProt:P16234" + }, + { + "key": "positively regulates", + "source": "UniProt:P16234", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "HP:0001880" + }, + { + "key": "manifestation of", + "source": "HP:0001880", + "target": "MESH:D017681" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "UniProt:P16234", + "label": "Protein", + "name": "Platelet-derived growth factor receptor alpha" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "HP:0001880", + "label": "PhenotypicFeature", + "name": "Eosinophilia" + }, + { + "id": "MESH:D017681", + "label": "Disease", + "name": "Hypereosinophilic Syndrome" + } + ], + "reference": [ + "https://www.cancer.gov/publications/dictionaries/cancer-drug/def/imatinib-mesylate", + "https://go.drugbank.com/drugs/DB00619#BE0000205", + "https://go.drugbank.com/drugs/DB00619#BE0000852", + "https://en.wikipedia.org/wiki/Imatinib#Other" + ] + }, + { + "comment": "The majority of Gastrointestinal stromal tumor patients have mutations on the KIT or PDGFRA genes (95% of all patients).", + "directed": true, + "graph": { + "_id": "DB00619_MESH_D046152_1", + "disease": "Gastrointestinal stromal tumor", + "disease_mesh": "MESH:D046152", + "drug": "imatinib", + "drug_mesh": "MESH:D000068877", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D000068877", + "target": "UniProt:P10721" + }, + { + "key": "decreases activity of", + "source": "MESH:D000068877", + "target": "UniProt:P16234" + }, + { + "key": "positively regulates", + "source": "UniProt:P16234", + "target": "GO:0035790" + }, + { + "key": "positively correlated with", + "source": "GO:0035790", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0035790", + "target": "MESH:D002470" + }, + { + "key": "positively regulates", + "source": "UniProt:P10721", + "target": "GO:0038109" + }, + { + "key": "positively correlated with", + "source": "GO:0038109", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0038109", + "target": "MESH:D002470" + }, + { + "key": "positively correlated with", + "source": "GO:0038109", + "target": "GO:0030154" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MESH:D046152" + }, + { + "key": "positively correlated with", + "source": "MESH:D002470", + "target": "MESH:D046152" + }, + { + "key": "positively correlated with", + "source": "GO:0030154", + "target": "MESH:D046152" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "UniProt:P10721", + "label": "Protein", + "name": "Mast/stem cell growth factor receptor Kit" + }, + { + "id": "UniProt:P16234", + "label": "Protein", + "name": "Platelet-derived growth factor receptor alpha" + }, + { + "id": "GO:0035790", + "label": "BiologicalProcess", + "name": "platelet-derived growth factor receptor-alpha signaling pathway" + }, + { + "id": "GO:0038109", + "label": "BiologicalProcess", + "name": "Kit signaling pathway" + }, + { + "id": "GO:0030154", + "label": "BiologicalProcess", + "name": "cell differentiation" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "MESH:D002470", + "label": "BiologicalProcess", + "name": "Cell Survival" + }, + { + "id": "MESH:D046152", + "label": "Disease", + "name": "Gastrointestinal stromal tumor" + } + ], + "reference": [ + "https://www.cancer.gov/publications/dictionaries/cancer-drug/def/imatinib-mesylate", + "https://en.wikipedia.org/wiki/Imatinib#Gastrointestinal_stromal_tumors", + "https://go.drugbank.com/drugs/DB00619#BE0000453", + "https://go.drugbank.com/drugs/DB00619#BE0000852" + ] + }, + { + "comment": "The majority of dermatofibrosarcoma tumours have two genes fused due to a translocation involving the collagen gene (COL1A1) and the platelet-derived growth factor (PDGF). The latter can be further subdivided giving rise to PDGFA, for example, which is an oncogene.", + "directed": true, + "graph": { + "_id": "DB00619_MESH_D018223_1", + "disease": "Dermatofibrosarcoma", + "disease_mesh": "MESH:D018223", + "drug": "imatinib", + "drug_mesh": "MESH:D000068877", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D000068877", + "target": "UniProt:P16234" + }, + { + "key": "positively regulates", + "source": "UniProt:P16234", + "target": "GO:0030154" + }, + { + "key": "positively regulates", + "source": "UniProt:P16234", + "target": "GO:0008283" + }, + { + "key": "positively regulates", + "source": "UniProt:P16234", + "target": "MESH:D002470" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MESH:D018223" + }, + { + "key": "positively correlated with", + "source": "MESH:D002470", + "target": "MESH:D018223" + }, + { + "key": "positively correlated with", + "source": "GO:0030154", + "target": "MESH:D018223" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "UniProt:P16234", + "label": "Protein", + "name": "Platelet-derived growth factor receptor alpha" + }, + { + "id": "GO:0030154", + "label": "BiologicalProcess", + "name": "cell differentiation" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "MESH:D002470", + "label": "BiologicalProcess", + "name": "Cell Survival" + }, + { + "id": "MESH:D018223", + "label": "Disease", + "name": "Dermatofibrosarcoma" + } + ], + "reference": [ + "https://www.cancer.gov/publications/dictionaries/cancer-drug/def/imatinib-mesylate", + "https://en.wikipedia.org/wiki/Dermatofibrosarcoma_protuberans#Pathophysiology", + "https://en.wikipedia.org/wiki/Imatinib#Dermatofibrosarcoma_protuberans_(DFSP)" + ] + }, + { + "comments": "The disease is denoted Systemic mast cell disease in the original file.", + "directed": true, + "graph": { + "_id": "DB00619_MESH_D034721_2", + "disease": "Mastocytosis, Systemic", + "disease_mesh": "MESH:D034721", + "drug": "imatinib", + "drug_mesh": "MESH:D000068877", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D000068877", + "target": "UniProt:P10721" + }, + { + "key": "positively regulates", + "source": "UniProt:P10721", + "target": "GO:0038109" + }, + { + "key": "positively correlated with", + "source": "GO:0038109", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0038109", + "target": "MESH:D002470" + }, + { + "key": "positively correlated with", + "source": "GO:0038109", + "target": "GO:0030154" + }, + { + "key": "increases abundance of", + "source": "GO:0008283", + "target": "MESH:D008407" + }, + { + "key": "correlated with", + "source": "MESH:D008407", + "target": "MESH:D034721" + }, + { + "key": "positively correlated with", + "source": "MESH:D002470", + "target": "MESH:D034721" + }, + { + "key": "positively correlated with", + "source": "GO:0030154", + "target": "MESH:D034721" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "UniProt:P10721", + "label": "Protein", + "name": "Mast/stem cell growth factor receptor Kit" + }, + { + "id": "GO:0038109", + "label": "BiologicalProcess", + "name": "Kit signaling pathway" + }, + { + "id": "GO:0030154", + "label": "BiologicalProcess", + "name": "cell differentiation" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "MESH:D002470", + "label": "BiologicalProcess", + "name": "Cell Survival" + }, + { + "id": "MESH:D008407", + "label": "Cell", + "name": "Mast Cells" + }, + { + "id": "MESH:D034721", + "label": "Disease", + "name": "Mastocytosis, Systemic" + } + ], + "reference": [ + "https://www.cancer.gov/publications/dictionaries/cancer-drug/def/imatinib-mesylate", + "https://go.drugbank.com/drugs/DB00619#BE0000453" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00661_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MESH:D006973", + "drug": "verapamil", + "drug_mesh": "MESH:D014700", + "drugbank": "DB:DB00661" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D014700", + "target": "InterPro:IPR005446" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005446", + "target": "GO:0060402" + }, + { + "key": "positively correlated with", + "source": "GO:0060402", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0033533" + }, + { + "key": "positively correlated with", + "source": "HP:0033533", + "target": "HP:0032263" + }, + { + "key": "manifestation of", + "source": "HP:0032263", + "target": "MESH:D006973" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014700", + "label": "Drug", + "name": "verapamil" + }, + { + "id": "InterPro:IPR005446", + "label": "GeneFamily", + "name": "Voltage-dependent calcium channel, L-type, alpha-1 subunit" + }, + { + "id": "GO:0060402", + "label": "BiologicalProcess", + "name": "calcium ion transport into cytosol" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0033533", + "label": "PhenotypicFeature", + "name": "Increased cardiac output" + }, + { + "id": "HP:0032263", + "label": "PhenotypicFeature", + "name": "Increased blood pressure" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00661#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL6966/", + "https://en.wikipedia.org/wiki/Verapamil#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Antiarrhythmic_agent#Class_IV_agents" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00661_MESH_D001281_1", + "disease": "Atrial fibrillation", + "disease_mesh": "MESH:D001281", + "drug": "verapamil", + "drug_mesh": "MESH:D014700", + "drugbank": "DB:DB00661" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D014700", + "target": "InterPro:IPR005446" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005446", + "target": "GO:0061337" + }, + { + "key": "positively correlated with", + "source": "GO:0061337", + "target": "GO:0060047" + }, + { + "key": "positively correlated with", + "source": "GO:0060047", + "target": "HP:0001692" + }, + { + "key": "manifestation of", + "source": "HP:0001692", + "target": "MESH:D001281" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014700", + "label": "Drug", + "name": "verapamil" + }, + { + "id": "InterPro:IPR005446", + "label": "GeneFamily", + "name": "Voltage-dependent calcium channel, L-type, alpha-1 subunit" + }, + { + "id": "GO:0061337", + "label": "BiologicalProcess", + "name": "cardiac conduction" + }, + { + "id": "GO:0060047", + "label": "BiologicalProcess", + "name": "heart contraction" + }, + { + "id": "HP:0001692", + "label": "PhenotypicFeature", + "name": "Atrial arrhythmia" + }, + { + "id": "MESH:D001281", + "label": "Disease", + "name": "Atrial fibrillation" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00661#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL6966/", + "https://en.wikipedia.org/wiki/Verapamil#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Antiarrhythmic_agent#Class_IV_agents", + "https://en.wikipedia.org/wiki/Atrial_fibrillation#Rate_control" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00661_MESH_D054058_1", + "disease": "Acute coronary syndrome", + "disease_mesh": "MESH:D054058", + "drug": "verapamil", + "drug_mesh": "MESH:D014700", + "drugbank": "DB:DB00661" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D014700", + "target": "InterPro:IPR005446" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005446", + "target": "GO:0060402" + }, + { + "key": "positively correlated with", + "source": "GO:0060402", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0033401" + }, + { + "key": "positively correlated with", + "source": "HP:0033401", + "target": "MESH:D054058" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014700", + "label": "Drug", + "name": "verapamil" + }, + { + "id": "InterPro:IPR005446", + "label": "GeneFamily", + "name": "Voltage-dependent calcium channel, L-type, alpha-1 subunit" + }, + { + "id": "GO:0060402", + "label": "BiologicalProcess", + "name": "calcium ion transport into cytosol" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0033401", + "label": "PhenotypicFeature", + "name": "Tissue ischemia" + }, + { + "id": "MESH:D054058", + "label": "Disease", + "name": "Acute coronary syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00661#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL6966/", + "https://en.wikipedia.org/wiki/Verapamil#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Antiarrhythmic_agent#Class_IV_agents" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00661_MESH_D000787_1", + "disease": "Angina pectoris", + "disease_mesh": "MESH:D000787", + "drug": "verapamil", + "drug_mesh": "MESH:D014700", + "drugbank": "DB:DB00661" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D014700", + "target": "InterPro:IPR005446" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005446", + "target": "GO:0060402" + }, + { + "key": "positively correlated with", + "source": "GO:0060402", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0033401" + }, + { + "key": "positively correlated with", + "source": "HP:0033401", + "target": "MESH:D000787" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014700", + "label": "Drug", + "name": "verapamil" + }, + { + "id": "InterPro:IPR005446", + "label": "GeneFamily", + "name": "Voltage-dependent calcium channel, L-type, alpha-1 subunit" + }, + { + "id": "GO:0060402", + "label": "BiologicalProcess", + "name": "calcium ion transport into cytosol" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0033401", + "label": "PhenotypicFeature", + "name": "Tissue ischemia" + }, + { + "id": "MESH:D000787", + "label": "Disease", + "name": "Angina pectoris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00661#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL6966/", + "https://en.wikipedia.org/wiki/Verapamil#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Antiarrhythmic_agent#Class_IV_agents", + "https://en.wikipedia.org/wiki/Angina#Treatment" + ] + }, + { + "comment": "The disease is also known as as Prinzmetal angina.", + "directed": true, + "graph": { + "_id": "DB00661_MESH_D000788_1", + "disease": "Angina Pectoris, Variant", + "disease_mesh": "MESH:D000788", + "drug": "verapamil", + "drug_mesh": "MESH:D014700", + "drugbank": "DB:DB00661" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D014700", + "target": "InterPro:IPR005446" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005446", + "target": "GO:0060402" + }, + { + "key": "positively correlated with", + "source": "GO:0060402", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0033401" + }, + { + "key": "positively correlated with", + "source": "HP:0033401", + "target": "MESH:D000788" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014700", + "label": "Drug", + "name": "verapamil" + }, + { + "id": "InterPro:IPR005446", + "label": "GeneFamily", + "name": "Voltage-dependent calcium channel, L-type, alpha-1 subunit" + }, + { + "id": "GO:0060402", + "label": "BiologicalProcess", + "name": "calcium ion transport into cytosol" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0033401", + "label": "PhenotypicFeature", + "name": "Tissue ischemia" + }, + { + "id": "MESH:D000788", + "label": "Disease", + "name": "Angina Pectoris, Variant" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00661#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL6966/", + "https://en.wikipedia.org/wiki/Verapamil#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Antiarrhythmic_agent#Class_IV_agents", + "https://en.wikipedia.org/wiki/Variant_angina#Maintenance" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09167_MESH_D003865_1", + "disease": "Major depressive disorder", + "disease_mesh": "MESH:D003865", + "drug": "dosulepin", + "drug_mesh": "MESH:D004308", + "drugbank": "DB:DB09167" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D004308", + "target": "UniProt:P31645" + }, + { + "key": "negatively regulates", + "source": "MESH:D004308", + "target": "UniProt:P23975" + }, + { + "key": "positively regulates", + "source": "UniProt:P31645", + "target": "GO:0051610" + }, + { + "key": "positively regulates", + "source": "UniProt:P23975", + "target": "GO:0051620" + }, + { + "key": "positively correlated with", + "source": "GO:0051620", + "target": "HP:0000716" + }, + { + "key": "positively correlated with", + "source": "GO:0051610", + "target": "HP:0000716" + }, + { + "key": "manifestation of", + "source": "HP:0000716", + "target": "MESH:D003865" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004308", + "label": "Drug", + "name": "dosulepin" + }, + { + "id": "UniProt:P31645", + "label": "Protein", + "name": "Sodium-dependent serotonin transporter" + }, + { + "id": "UniProt:P23975", + "label": "Protein", + "name": "Sodium-dependent noradrenaline transporter" + }, + { + "id": "GO:0051610", + "label": "BiologicalProcess", + "name": "serotonin uptake" + }, + { + "id": "GO:0051620", + "label": "BiologicalProcess", + "name": "norepinephrine uptake" + }, + { + "id": "HP:0000716", + "label": "PhenotypicFeature", + "name": "Depressivity" + }, + { + "id": "MESH:D003865", + "label": "Disease", + "name": "Major depressive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09167#BE0000486", + "https://go.drugbank.com/drugs/DB09167#BE0000749", + "https://en.wikipedia.org/wiki/Dosulepin#Pharmacodynamics", + "https://pubmed.ncbi.nlm.nih.gov/2670509/" + ] + }, + { + "comments": "The disease is denoted as Bipolar affective disorder, current episode depression in the original file. It seems that either Quetiapine or its metabolite (Norquetiapine, also known as N-desalkylquetiapine) could bind to UniProt:P23975 and inhibit its function and is associated with lower synaptic norepinephrine levels (https://en.wikipedia.org/wiki/Quetiapine#Pharmacokinetics https://www.ebi.ac.uk/chembl/document_report_card/CHEMBL3526075/).", + "directed": true, + "graph": { + "_id": "DB01224_MESH_D001714_1", + "disease": "Bipolar Disorder", + "disease_mesh": "MESH:D001714", + "drug": "quetiapine", + "drug_mesh": "MESH:D000069348", + "drugbank": "DB:DB01224" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D000069348", + "target": "UniProt:P23975" + }, + { + "key": "positively regulates", + "source": "UniProt:P23975", + "target": "GO:0051620" + }, + { + "key": "positively correlated with", + "source": "GO:0051620", + "target": "HP:0000716" + }, + { + "key": "positively correlated with", + "source": "GO:0051620", + "target": "HP:0100754" + }, + { + "key": "manifestation of", + "source": "HP:0000716", + "target": "MESH:D001714" + }, + { + "key": "manifestation of", + "source": "HP:0100754", + "target": "MESH:D001714" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069348", + "label": "Drug", + "name": "quetiapine" + }, + { + "id": "UniProt:P23975", + "label": "Protein", + "name": "Sodium-dependent noradrenaline transporter" + }, + { + "id": "GO:0051620", + "label": "BiologicalProcess", + "name": "norepinephrine uptake" + }, + { + "id": "HP:0000716", + "label": "PhenotypicFeature", + "name": "Depressivity" + }, + { + "id": "HP:0100754", + "label": "PhenotypicFeature", + "name": "Mania" + }, + { + "id": "MESH:D001714", + "label": "Disease", + "name": "Bipolar Disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01224#mechanism-of-action", + "https://www.genecards.org/cgi-bin/carddisp.pl?gene=SLC6A2#drugs_compounds", + "https://en.wikipedia.org/wiki/Quetiapine#cite_note-pmid18059438-50", + "https://pubmed.ncbi.nlm.nih.gov/20307622/", + "https://pubmed.ncbi.nlm.nih.gov/20931407/" + ] + }, + { + "comment": "Octreotide has antiproliferative effects and it is used in treating neuroendocrine tumours including carcinoid tumours. Octreotide improves symptoms of carcinoid syndrome such as diarrhoea and flushing https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5983100/. Octreotide is also used in imaging method called octreoscan where indium-111 labelled octreotide is used in scintigraphy for detecting tumors expressing somatostatin receptors https://en.wikipedia.org/wiki/Carcinoid_syndrome#Imaging", + "directed": true, + "graph": { + "_id": "DB00104_MESH_D008303_1", + "disease": "Carcinoid syndrome", + "disease_mesh": "MESH:D008303", + "drug": "Octreotide", + "drug_mesh": "MESH:D015282", + "drugbank": "DB:DB00104" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D015282", + "target": "GO:0038169" + }, + { + "key": "negatively regulates", + "source": "GO:0038169", + "target": "UniProt:P01241" + }, + { + "key": "positively regulates", + "source": "UniProt:P01241", + "target": "UniProt:P05019" + }, + { + "key": "positively correlated with", + "source": "UniProt:P05019", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MESH:D008303" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015282", + "label": "Drug", + "name": "Octreotide" + }, + { + "id": "GO:0038169", + "label": "BiologicalProcess", + "name": "Somatostatin receptor signaling pathway" + }, + { + "id": "UniProt:P01241", + "label": "Protein", + "name": "Somatotropin" + }, + { + "id": "UniProt:P05019", + "label": "Protein", + "name": "Insulin-like growth factor I" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "Cell population proliferation" + }, + { + "id": "MESH:D008303", + "label": "Disease", + "name": "Carcinoid syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00104#BE0010008", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5983100/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00104_MESH_D000172_1", + "disease": "Acromegaly", + "disease_mesh": "MESH:D000172", + "drug": "Octreotide", + "drug_mesh": "MESH:D015282", + "drugbank": "DB:DB00104" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D015282", + "target": "GO:0038169" + }, + { + "key": "negatively regulates", + "source": "GO:0038169", + "target": "UniProt:P01241" + }, + { + "key": "positively correlated with", + "source": "UniProt:P01241", + "target": "MESH:D000172" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015282", + "label": "Drug", + "name": "Octreotide" + }, + { + "id": "GO:0038169", + "label": "BiologicalProcess", + "name": "Somatostatin receptor signaling pathway" + }, + { + "id": "UniProt:P01241", + "label": "Protein", + "name": "Somatotropin" + }, + { + "id": "MESH:D000172", + "label": "Disease", + "name": "Acromegaly" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00104#BE0010008", + "https://en.wikipedia.org/wiki/Acromegaly#Signs_and_symptoms" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00503_MESH_D015658_1", + "disease": "Human immunodeficiency virus infection", + "disease_mesh": "MESH:D015658", + "drug": "Ritonavir", + "drug_mesh": "MESH:D019438", + 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Mestranol is used as an estrogen component of many combined oral contraceptives. The combined oral contraceptives show efficacy in a treatment of menorrhagia, but not estrogen component itself.", + "directed": true, + "graph": { + "_id": "DB01357_MESH_D008595_1", + "disease": "Menorrhagia", + "disease_mesh": "MESH:D008595", + "drug": "Mestranol", + "drug_mesh": "MESH:D008656", + "drugbank": "DB:DB01357" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D008656", + "target": "MESH:D008595" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008656", + "label": "Drug", + "name": "Mestranol" + }, + { + "id": "MESH:D008595", + "label": "Disease", + "name": "Menorrhagia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01357", + "https://pubmed.ncbi.nlm.nih.gov/26695687/" + ] + }, + { + "comment": "Mestranol is a biologically inactive prodrug of ethinylestradiol, which it is demethylated in the liver with a conversion efficiency of 70%. Mestranol is used as an estrogen component of many combined oral contraceptives. The combined oral contraceptives show efficacy in endometriosis symptoms management, but not estrogen component itself.", + "directed": true, + "graph": { + "_id": "DB01357_MESH_D004715_1", + "disease": "Endometriosis", + "disease_mesh": "MESH:D004715", + "drug": "Mestranol", + "drug_mesh": "MESH:D008656", + "drugbank": "DB:DB01357" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D008656", + "target": "MESH:D004715" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008656", + "label": "Drug", + "name": "Mestranol" + }, + { + "id": "MESH:D004715", + "label": "Disease", + "name": "Endometriosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01357", + "https://pubmed.ncbi.nlm.nih.gov/31488888/" + ] + }, + { + "comment": "Calfactant adsorbs rapidly to the surface of the alveolar air-fluid interface and modifies surface tension to a minimum of less than 3 mN/m. It acts in a manner similar to natural lung surfactant, thus preventing or treating respiratory distress syndrome.", + "directed": true, + "graph": { + "_id": "DB06415_MESH_D012127_1", + "disease": "Respiratory distress syndrome in the newborn", + "disease_mesh": "MESH:D012127", + "drug": "Calfactant", + "drug_mesh": "MESH:C117342", + "drugbank": "DB:DB06415" + }, + "links": [ + { + "key": "capable of", + "source": "MESH:C117342", + "target": "GO:0043129" + }, + { + "key": "negatively correlated with", + "source": "GO:0043129", + "target": "MESH:D012127" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C117342", + "label": "Drug", + "name": "Calfactant" + }, + { + "id": "GO:0043129", + "label": "BiologicalProcess", + "name": "Surfactant homeostasis" + }, + { + "id": "MESH:D012127", + "label": "Disease", + "name": "Respiratory distress syndrome in the newborn" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06415" + ] + }, + { + "directed": true, + "graph": { + 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"https://go.drugbank.com/drugs/DB12834" + ] + }, + { + "comment": "Secnidazole is a prodrug converted to an active form via reduction of nitro groups to radical anions.", + "directed": true, + "graph": { + "_id": "DB12834_MESH_D005873_1", + "disease": "Giardiasis", + "disease_mesh": "MESH:D005873", + "drug": "Secnidazole", + "drug_mesh": "MESH:C016724", + "drugbank": "DB:DB12834" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:C016724", + "target": "GO:0000305" + }, + { + "key": "disrupts", + "source": "GO:0000305", + "target": "MESH:D004247" + }, + { + "key": "in taxon", + "source": "MESH:D004247", + "target": "taxonomy:5741" + }, + { + "key": "causes", + "source": "taxonomy:5741", + "target": "MESH:D005873" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C016724", + "label": "Drug", + "name": "Secnidazole" + }, + { + "id": "GO:0000305", + "label": "BiologicalProcess", + "name": "Response to oxygen radical" + }, + { + "id": "MESH:D004247", + 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rectifier potassium channel 12" + }, + { + "id": "GO:0030322", + "label": "BiologicalProcess", + "name": "stabilization of membrane potential" + }, + { + "id": "GO:0061337", + "label": "BiologicalProcess", + "name": "cardiac conduction" + }, + { + "id": "reactome:R-HSA-5576890", + "label": "Pathway", + "name": "Phase 3 - rapid repolarisation" + }, + { + "id": "MESH:D012032", + "label": "BiologicalProcess", + "name": "Refractory Period, Electrophysiological" + }, + { + "id": "HP:0001692", + "label": "PhenotypicFeature", + "name": "Atrial arrhythmia" + }, + { + "id": "MESH:D001281", + "label": "Disease", + "name": "Atrial fibrillation" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00204#mechanism-of-action", + "https://en.wikipedia.org/wiki/Dofetilide#Mechanism_of_action", + "https://www.cvpharmacology.com/antiarrhy/potassium-blockers", + "https://pubmed.ncbi.nlm.nih.gov/10907968/" + ] + }, + { + "comment": "The disease, specially the acute form, is mainly caused by infection (https://en.wikipedia.org/wiki/Enterocolitis#Cause), leading to inflammation. So in addition to treating the symptoms (such as spams and GI secretions), antibiotics, anti-virals etc may be needed for treatment (https://en.wikipedia.org/wiki/Enterocolitis#Treatment).", + "directed": true, + "graph": { + "_id": "DB00771_MESH_D004760_1", + "disease": "Enterocolitis", + "disease_mesh": "MESH:D004760", + "drug": "clidinium", + "drug_mesh": "MESH:C054940", + "drugbank": "DB:DB00771" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C054940", + "target": "UniProt:P11229" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0006939" + }, + { + "key": "positively correlated with", + "source": "GO:0006939", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0006939", + "target": "HP:0003394" + }, + { + "key": "correlated with", + "source": "GO:0001696", + "target": "MESH:D004760" + }, + { + "key": "correlated with", + "source": "HP:0003394", + "target": "MESH:D004760" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C054940", + "label": "Drug", + "name": "clidinium" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0006939", + "label": "BiologicalProcess", + "name": "smooth muscle contraction" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "Intestinal Secretions" + }, + { + "id": "HP:0003394", + "label": "PhenotypicFeature", + "name": "Muscle spasm" + }, + { + "id": "MESH:D004760", + "label": "Disease", + "name": "Enterocolitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00771#mechanism-of-action", + "https://en.wikipedia.org/wiki/Clidinium_bromide#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00771_MESH_D043183_1", + "disease": "Irritable bowel syndrome", + "disease_mesh": "MESH:D043183", + "drug": "clidinium", + "drug_mesh": "MESH:C054940", + "drugbank": "DB:DB00771" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C054940", + "target": "UniProt:P11229" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0006939" + }, + { + "key": "positively correlated with", + "source": "GO:0006939", + "target": "MESH:D013035" + }, + { + "key": "increases abundance of", + "source": "MESH:D013035", + "target": "HP:0032155" + }, + { + "key": "correlated with", + "source": "HP:0032155", + "target": "HP:0002579" + }, + { + "key": "manifestation of", + "source": "HP:0002579", + "target": "MESH:D043183" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C054940", + "label": "Drug", + "name": "clidinium" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0006939", + "label": "BiologicalProcess", + "name": "smooth muscle contraction" + }, + { + "id": "HP:0032155", + "label": "PhenotypicFeature", + "name": "Abdominal cramps" + }, + { + "id": "MESH:D013035", + "label": "BiologicalProcess", + "name": "Spasm" + }, + { + "id": "HP:0002579", + "label": "PhenotypicFeature", + "name": "Gastrointestinal dysmotility" + }, + { + "id": "MESH:D043183", + "label": "Disease", + "name": "Irritable bowel syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00771#mechanism-of-action", + "https://en.wikipedia.org/wiki/Clidinium_bromide#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Irritable_bowel_syndrome#Medication" + ] + }, + { + "comment": "In Parkinson's disease, there is imbalance between levels of acetylcholine and dopamine, where increased levels of acetylcholine and degeneration of dopaminergic pathways are observed. Therefore, muscarinic antagonists block central cholinergic activity and balance out neurotransmitters in the brain (https://en.wikipedia.org/wiki/Muscarinic_antagonist#Effects). Anticholinergic drugs may also be prescribed to improve bladder dysfunction (https://pubmed.ncbi.nlm.nih.gov/20370804/).", + "directed": true, + "graph": { + "_id": "DB00942_MESH_D010300_1", + "disease": "Parkinson's disease", + "disease_mesh": "MESH:D010300", + "drug": "cycrimine", + "drug_mesh": "MESH:C012262", + "drugbank": "DB:DB00942" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C012262", + "target": "UniProt:P11229" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "increases activity of", + "source": "GO:0007271", + "target": "GO:0014055" + }, + { + "key": "positively correlated with", + "source": "GO:0014055", + "target": "MESH:D010300" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C012262", + "label": "Drug", + "name": "cycrimine" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "GO:0014055", + "label": "BiologicalProcess", + "name": "acetylcholine secretion, neurotransmission" + }, + { + "id": "MESH:D010300", + "label": "Disease", + "name": "Parkinson's disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00942#mechanism-of-action", + "https://pubchem.ncbi.nlm.nih.gov/compound/2911#section=Pharmacology-and-Biochemistry" + ] + }, + { + "comment": "The antiseizure mechanism of action based on the voltage sodium channels is not a consensus (https://en.wikipedia.org/wiki/Eslicarbazepine_acetate#Mechanism_of_action). The drug could also bind to calcium channels (https://go.drugbank.com/drugs/DB09119#mechanism-of-action). Note that the protein target listed in DrugBank (https://go.drugbank.com/drugs/DB09119#BE0005793) does not seem to be involved in epilepsy, but rather in inflammation and pain.", + "directed": true, + "graph": { + "_id": "DB09119_MESH_D004828_1", + "disease": "Epilepsies, Partial", + "disease_mesh": "MESH:D004828", + "drug": "eslicarbazepine acetate", + "drug_mesh": "MESH:C416835", + "drugbank": "DB:DB09119" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C416835", + "target": "MESH:C571001" + }, + { + "key": "decreases activity of", + "source": "MESH:C571001", + "target": "InterPro:IPR001696" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0035725" + }, + { + "key": "regulates", + "source": "GO:0035725", + "target": "GO:0019228" + }, + { + "key": "contributes to", + "source": "GO:0019228", + "target": "HP:0011097" + }, + { + "key": "positively correlated with", + "source": "HP:0011097", + "target": "MESH:D004828" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C416835", + "label": "Drug", + "name": "eslicarbazepine acetate" + }, + { + "id": "MESH:C571001", + "label": "Drug", + "name": "eslicarbazepine" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "GO:0035725", + "label": "BiologicalProcess", + "name": "sodium ion transmembrane transport" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "HP:0011097", + "label": "PhenotypicFeature", + "name": "Epileptic spasm" + }, + { + "id": "MESH:D004828", + "label": "Disease", + "name": "Epilepsies, Partial" + } + ], + "reference": [ + "https://pubchem.ncbi.nlm.nih.gov/compound/179344#section=Pharmacology-and-Biochemistry", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL87992/" + ] + }, + { + "comment": "This disease is also known as Disorder of lung as per DrugCentral. Note this disease name is a very generic term, that could encompass any diseases of the lungs, including neoplasms, infectious diseases (e.g. tuberculosis) and rare diseases (e.g. cystic fibrosis) for which theophylline may not have any therapeutic benefit at all. Therefore, this annotation is done for all lung diseases that could be indications for this drug to encompass diseases that are similar to asthma, bronchitis, COPD and alike.", + "directed": true, + "graph": { + "_id": "DB00277_MESH_D008171_1", + "disease": "Lung Diseases", + "disease_mesh": "MESH:D008171", + "drug": "theophylline", + "drug_mesh": "MESH:D013806", + "drugbank": "DB:DB00277" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D013806", + "target": "UniProt:Q92769" + }, + { + "key": "positively regulates", + "source": "UniProt:Q92769", + "target": "GO:0016575" + }, + { + "key": "negatively correlated with", + "source": "GO:0016575", + "target": "GO:0006954" + }, + { + "key": "decreases activity of", + "source": "MESH:D013806", + "target": "InterPro:IPR023174" + }, + { + "key": "decreases activity of", + "source": "MESH:D013806", + "target": "InterPro:IPR001634" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR023174", + "target": "GO:0006198" + }, + { + "key": "negatively regulates", + "source": "InterPro:IPR023174", + "target": "GO:0019933" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001634", + "target": "HP:4000007" + }, + { + "key": "positively correlated with", + "source": "HP:4000007", + "target": "MESH:D008171" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001634", + "target": "GO:0006954" + }, + { + "key": "decreases abundance of", + "source": "GO:0006198", + "target": "CHEBI:17489" + }, + { + "key": "increases abundance of", + "source": "GO:0019933", + "target": "CHEBI:17489" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17489", + "target": "GO:0044557" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:17489", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MESH:D008171" + }, + { + "key": "negatively correlated with", + "source": "GO:0044557", + "target": "MESH:D008171" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:D000628", + "MESH:D031210" + ], + "id": "MESH:D013806", + "label": "Drug", + "name": "theophylline" + }, + { + "id": "InterPro:IPR001634", + "label": "GeneFamily", + "name": "Adenosine receptor" + }, + { + "id": "InterPro:IPR023174", + "label": "GeneFamily", + "name": "3'5'-cyclic nucleotide phosphodiesterase, conserved site" + }, + { + "id": "UniProt:Q92769", + "label": "Protein", + "name": "Histone deacetylase 2" + }, + { + "id": "GO:0016575", + "label": "BiologicalProcess", + "name": "histone deacetylation" + }, + { + "id": "GO:0006198", + "label": "BiologicalProcess", + "name": "cAMP catabolic process" + }, + { + "id": "GO:0019933", + "label": "BiologicalProcess", + "name": "cAMP-mediated signaling" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "GO:0044557", + "label": "BiologicalProcess", + "name": "relaxation of smooth muscle" + }, + { + "id": "HP:4000007", + "label": "PhenotypicFeature", + "name": "Bronchoconstriction" + }, + { + "id": "CHEBI:17489", + "label": "ChemicalSubstance", + "name": "3',5'-cyclic AMP" + }, + { + "id": "MESH:D008171", + "label": "Disease", + "name": "Lung Diseases" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00277#mechanism-of-action", + "https://en.wikipedia.org/wiki/Theophylline#Pharmacodynamics", + "https://pubmed.ncbi.nlm.nih.gov/18660825/", + "https://pubmed.ncbi.nlm.nih.gov/12212985/", + "https://pubmed.ncbi.nlm.nih.gov/15980878/", + "https://pubmed.ncbi.nlm.nih.gov/19762093/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00046_MESH_D003922_1", + "disease": "Diabetes mellitus type 1", + "disease_mesh": "MESH:D003922", + "drug": "insulin lispro", + "drug_mesh": "MESH:D061268", + "drugbank": "DB:DB00046" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D061268", + "target": "UniProt:P06213" + }, + { + "key": "positively regulates", + "source": "UniProt:P06213", + "target": "GO:0004714" + }, + { + "key": "positively regulates", + "source": "GO:0004714", + "target": "MESH:D055504" + }, + { + "key": "positively regulates", + "source": "MESH:D055504", + "target": "GO:0046323" + }, + { + "key": "negatively correlated with", + "source": "GO:0046323", + "target": "MESH:D003922" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D061268", + "label": "Drug", + "name": "insulin lispro" + }, + { + "id": "UniProt:P06213", + "label": "Protein", + "name": "Insulin receptor" + }, + { + "id": "GO:0004714", + "label": "MolecularActivity", + "name": "transmembrane receptor protein tyrosine kinase activity" + }, + { + "id": "MESH:D055504", + "label": "GeneFamily", + "name": "Insulin Receptor Substrate Proteins" + }, + { + "id": "GO:0046323", + "label": "BiologicalProcess", + "name": "glucose import" + }, + { + "id": "MESH:D003922", + "label": "Disease", + "name": "Diabetes mellitus type 1" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00046#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201538/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00046_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MESH:D003924", + "drug": "insulin lispro", + "drug_mesh": "MESH:D061268", + "drugbank": "DB:DB00046" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D061268", + "target": "UniProt:P06213" + }, + { + "key": "positively regulates", + "source": "UniProt:P06213", + "target": "GO:0004714" + }, + { + "key": "positively regulates", + "source": "GO:0004714", + "target": "MESH:D055504" + }, + { + "key": "positively regulates", + "source": "MESH:D055504", + "target": "GO:0046323" + }, + { + "key": "negatively correlated with", + "source": "GO:0046323", + "target": "MESH:D003924" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D061268", + "label": "Drug", + "name": "insulin lispro" + }, + { + "id": "UniProt:P06213", + "label": "Protein", + "name": "Insulin receptor" + }, + { + "id": "GO:0004714", + "label": "MolecularActivity", + "name": "transmembrane receptor protein tyrosine kinase activity" + }, + { + "id": "MESH:D055504", + "label": "GeneFamily", + "name": "Insulin Receptor Substrate Proteins" + }, + { + "id": "GO:0046323", + "label": "BiologicalProcess", + "name": "glucose import" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00046#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201538/" + ] + }, + { + "comment": "The disease is denoted Carcinoma of breast in the original file as per DrugCentral. The drug intercaltes with DNA and prevents DNA replication and downstream processes, some of them involving UniProt:P11388, which leads to cell/tumour death.", + "directed": true, + "graph": { + "_id": "DB00445_MESH_D001943_1", + "disease": "Breast Neoplasms", + "disease_mesh": "MESH:D001943", + "drug": "epirubicin", + "drug_mesh": "MESH:D015251", + "drugbank": "DB:DB00445" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D015251", + "target": "GO:0140014" + }, + { + "key": "positively correlated with", + "source": "GO:0140014", + "target": "HP:0031377" + }, + { + "key": "positively correlated with", + "source": "HP:0031377", + "target": "MESH:D001943" + }, + { + "key": "decreases abundance of", + "source": "MESH:D015251", + "target": "GO:0032993" + }, + { + "key": "has participant", + "source": "GO:0032993", + "target": "UniProt:P11388" + }, + { + "key": "positively correlated with", + "source": "UniProt:P11388", + "target": "GO:0006260" + }, + { + "key": "increases abundance of", + "source": "MESH:D015251", + "target": "MESH:D005609" + }, + { + "key": "positively correlated with", + "source": "MESH:D005609", + "target": "GO:0090734" + }, + { + "key": "positively correlated with", + "source": "GO:0090734", + "target": "GO:0006915" + }, + { + "key": "negatively correlated with", + "source": "GO:0006915", + "target": "MESH:D001943" + }, + { + "key": "positively correlated with", + "source": "GO:0006260", + "target": "HP:0031377" + }, + { + "key": "positively correlated with", + "source": "GO:0006260", + "target": "GO:0140014" + }, + { + "key": "positively correlated with", + "source": "GO:0140014", + "target": "HP:0031377" + }, + { + "key": "manifestation of", + "source": "HP:0031377", + "target": "MESH:D001943" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015251", + "label": "Drug", + "name": "epirubicin" + }, + { + "id": "UniProt:P11388", + "label": "Protein", + "name": "DNA topoisomerase 2-alpha" + }, + { + "id": "GO:0032993", + "label": "CellularComponent", + "name": "protein-DNA complex" + }, + { + "id": "MESH:D005609", + "label": "ChemicalSubstance", + "name": "Free Radicals" + }, + { + "id": "GO:0090734", + "label": "CellularComponent", + "name": "site of DNA damage" + }, + { + "id": "GO:0006260", + "label": "BiologicalProcess", + "name": "DNA replication" + }, + { + "id": "HP:0031377", + "label": "PhenotypicFeature", + "name": "Abnormal cell proliferation" + }, + { + "id": "GO:0006915", + "label": "BiologicalProcess", + "name": "apoptotic process" + }, + { + "id": "GO:0140014", + "label": "BiologicalProcess", + "name": "mitotic nuclear division" + }, + { + "id": "MESH:D001943", + "label": "Disease", + "name": "Breast Neoplasm" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00445#mechanism-of-action", + "https://en.wikipedia.org/wiki/Epirubicin" + ] + }, + { + "comment": "The disease is also known as Deep venous thrombosis as per DrugCentral. Note that among the original MESH IDs for this drug one of them seems to have been deprecated (MESH:C438268) whereas the other (MESH:C049714) is for a compound where no evidence has been found to be related to fondaparinux.", + "directed": true, + "graph": { + "_id": "DB00569_MESH_D020246_1", + "disease": "Venous Thrombosis", + "disease_mesh": "MESH:D020246", + "drug": "fondaparinux", + "drug_mesh": "MESH:D000077425", + "drugbank": "DB:DB00569" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D000077425", + "target": "UniProt:P01008" + }, + { + "key": "decreases activity of", + "source": "UniProt:P01008", + "target": "UniProt:P00742" + }, + { + "key": "positively correlated with", + "source": "UniProt:P00742", + "target": "GO:0007596" + }, + { + "key": "located in", + "source": "GO:0007596", + "target": "UBERON:0035552" + }, + { + "key": "location of", + "source": "UBERON:0035552", + "target": "MESH:D020246" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000077425", + "label": "Drug", + "name": "fondaparinux" + }, + { + "id": "UniProt:P01008", + "label": "Protein", + "name": "Antithrombin-III" + }, + { + "id": "UniProt:P00742", + "label": "Protein", + "name": "Coagulation factor X" + }, + { + "id": "GO:0007596", + "label": "BiologicalProcess", + "name": "blood coagulation" + }, + { + "id": "UBERON:0035552", + "label": "GrossAnatomicalStructure", + "name": "deep vein" + }, + { + "id": "MESH:D020246", + "label": "Disease", + "name": "Venous Thrombosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00569#BE0000280", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201202/", + "https://en.wikipedia.org/wiki/Fondaparinux#Mechanism_of_action" + ] + }, + { + "comment": "The disease is also known as Pulmonary thromboembolism as per DrugCentral. Note that among the original MESH IDs for this drug one of them seems to have been deprecated (MESH:C438268) whereas the other (MESH:C049714) is for a compound where no evidence has been found to be related to fondaparinux.", + "directed": true, + "graph": { + "_id": "DB00569_MESH_D011655_1", + "disease": "Pulmonary Embolism", + "disease_mesh": "MESH:D011655", + "drug": "fondaparinux", + "drug_mesh": "MESH:D000077425", + "drugbank": "DB:DB00569" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D000077425", + "target": "UniProt:P01008" + }, + { + "key": "decreases activity of", + "source": "UniProt:P01008", + "target": "UniProt:P00742" + }, + { + "key": "positively correlated with", + "source": "UniProt:P00742", + "target": "GO:0007596" + }, + { + "key": "positively correlated with", + "source": "GO:0007596", + "target": "HP:0001907" + }, + { + "key": "positively correlated with", + "source": "HP:0001907", + "target": "MESH:D011655" + } + ], + "multigraph": true, 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From the literature it was reported as same as Omeprazole.", + "directed": true, + "graph": { + "_id": "DB11964_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MESH:D010437", + "drug": "ilaprazole", + "drug_mesh": "MESH:C119615", + "drugbank": "DB:DB11964" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C119615", + "target": "UniProt:P20648" + }, + { + "key": "positively correlated with", + "source": "UniProt:P20648", + "target": "GO:0008900" + }, + { + "key": "located in", + "source": "GO:0008900", + "target": "UBERON:0000325" + }, + { + "key": "positively correlated with", + "source": "UBERON:0000325", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MESH:D006356" + }, + { + "key": "manifestation of", + "source": "MESH:D006356", + "target": "MESH:D010437" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C119615", + "label": "Drug", + "name": "ilaprazole" + }, + { + "id": "UniProt:P20648", + "label": "Protein", + "name": "Potassium-transporting ATPase alpha chain 1" + }, + { + "id": "GO:0008900", + "label": "MolecularActivity", + "name": "P-type potassium:proton transporter activity" + }, + { + "id": "UBERON:0000325", + "label": "GrossAnatomicalStructure", + "name": "gastric gland" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "MESH:D006356", + "label": "PhenotypicFeature", + "name": "Heartburn" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB11964", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4009550/" + ] + }, + { + "comments": "ilaprazole mechanism of action was not provided in the drugbank DB. From the literature it was reported as same as Omeprazole.", + "directed": true, + "graph": { + "_id": "DB11964_MESH_D005764_1", + "disease": "Gastroesophageal reflux disease", + "disease_mesh": "MESH:D005764", + "drug": "ilaprazole", + "drug_mesh": "MESH:C119615", + "drugbank": "DB:DB11964" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C119615", + "target": "UniProt:P20648" + }, + { + "key": "positively correlated with", + "source": "UniProt:P20648", + "target": "GO:0008900" + }, + { + "key": "located in", + "source": "GO:0008900", + "target": "UBERON:0000325" + }, + { + "key": "positively correlated with", + "source": "UBERON:0000325", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MESH:D006356" + }, + { + "key": "manifestation of", + "source": "MESH:D006356", + "target": "MESH:D005764" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C119615", + "label": "Drug", + "name": "ilaprazole" + }, + { + "id": "UniProt:P20648", + "label": "Protein", + "name": "Potassium-transporting ATPase alpha chain 1" + }, + { + "id": "GO:0008900", + "label": "MolecularActivity", + "name": "P-type potassium:proton transporter activity" + }, + { + "id": "UBERON:0000325", + "label": "GrossAnatomicalStructure", + "name": "gastric gland" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "MESH:D006356", + "label": "PhenotypicFeature", + "name": "Heartburn" + }, + { + "id": "MESH:D005764", + "label": "Disease", + "name": "Gastroesophageal reflux disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB11964", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4009550/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB12267_MESH_D002289_1", + "disease": "Non-small cell lung cancer", + "disease_mesh": "MESH:D002289", + "drug": "brigatinib", + "drug_mesh": "MESH:C000598580", + "drugbank": "DB:DB12267" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C000598580", + "target": "UniProt:Q9UM73" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9UM73", + "target": "GO:0008283" + }, + { + "key": "decreases activity of", + "source": "MESH:C000598580", + "target": "UniProt:P00533" + }, + { + "key": "positively regulates", + "source": "UniProt:P00533", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "CL:0001063" + }, + { + "key": "positively correlated with", + "source": "CL:0001063", + "target": "MESH:D002289" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C000598580", + "label": "Drug", + "name": "brigatinib" + }, + { + "id": "UniProt:Q9UM73", + "label": "Protein", + "name": "anaplastic lymphoma kinase (ALK)" + }, + { + "id": "UniProt:P00533", + "label": "Protein", + "name": "Epidermal growth factor receptor" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "proliferation of cells" + }, + { + "id": "CL:0001063", + "label": "Cell", + "name": "tumor cell" + }, + { + "id": "MESH:D002289", + "label": "Disease", + "name": "Non-small cell lung cancer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB12267", + "https://www.sciencedirect.com/science/article/pii/S1319016418300902" + ] + }, + { + "comments": "evogliptin mechanism of action was not provided in the drugbank DB. From the literature it was reported as a novel DPP-4 inhibitor, approved in South Korea.", + "directed": true, + "graph": { + "_id": "DB12625_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MESH:D003924", + "drug": "evogliptin", + "drug_mesh": "MESH:C557982", + "drugbank": "DB:DB12625" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C557982", + "target": "UniProt:P27487" + }, + { + "key": "negatively regulates", + "source": "UniProt:P27487", + "target": "CHEBI:80270" + }, + { + "key": "positively regulates", + "source": "CHEBI:80270", + "target": "GO:0030073" + }, + { + "key": "negatively regulates", + "source": "CHEBI:80270", + "target": "GO:0070091" + }, + { + "key": "negatively regulates", + "source": "GO:0030073", + "target": "HP:0003074" + }, + { + "key": "positively correlated with", + "source": "GO:0070091", + "target": "HP:0003074" + }, + { + "key": "positively correlated with", + "source": "HP:0003074", + "target": 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"ChemicalSubstance", + "name": "Triglycerides" + }, + { + "id": "MESH:D006949", + "label": "Disease", + "name": "Hyperlipidemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00451", + "https://en.wikipedia.org/wiki/LDL_receptor#Function", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6129606/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3109527/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00451_MESH_D050031_1", + "disease": "Hashimoto thyroiditis", + "disease_mesh": "MESH:D050031", + "drug": "Levothyroxine", + "drug_mesh": "MESH:D013974", + "drugbank": "DB:DB00451" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D013974", + "target": "MESH:D014284" + }, + { + "key": "increases activity of", + "source": "MESH:D014284", + "target": "UniProt:P10827" + }, + { + "key": "increases activity of", + "source": "MESH:D014284", + "target": "UniProt:P10828" + }, + { + "key": "positively regulates", + "source": "UniProt:P10827", + "target": 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Low-dose naltrexone (LDN) describes the off-label use of naltrexone at low doses for diseases not related to chemical dependency or intoxication. The annotation is for Low Dose Naltrexone (LDN).", + "directed": true, + "graph": { + "_id": "DB00704_MESH_D059350_1", + "disease": "Chronic pain", + "disease_mesh": "MESH:D059350", + "drug": "Low Dose Naltrexone", + "drug_mesh": "MESH:D009270", + "drugbank": "DB:DB00704" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D009270", + "target": "UniProt:O00206" + }, + { + "key": "increases activity of", + "source": "UniProt:O00206", + "target": "UniProt:P01375" + }, + { + "key": "positively regulates", + "source": "UniProt:P01375", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MESH:D059350" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009270", + "label": "Drug", + "name": "Low Dose Naltrexone" + }, + { + "id": "UniProt:O00206", + "label": "Protein", + "name": "Toll-like receptor 4" + }, + { + "id": "UniProt:P01375", + "label": "Protein", + "name": "Tumor necrosis factor" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "Inflammatory response" + }, + { + "id": "MESH:D059350", + "label": "Disease", + "name": "Chronic pain" + } + ], + "reference": [ + "https://pubmed.ncbi.nlm.nih.gov/32845365/", + "https://pubmed.ncbi.nlm.nih.gov/30248938/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00704_MESH_D000437_1", + "disease": "Alcoholism", + "disease_mesh": "MESH:D000437", + "drug": "Naltrexone", + "drug_mesh": "MESH:D009270", + "drugbank": "DB:DB00704" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D009270", + "target": "UniProt:P41145" + }, + { + "key": "molecularly interacts with", + "source": "UniProt:P41145", + "target": "UniProt:P01213" + }, + { + "key": "positively correlated with", + "source": "UniProt:P01213", + "target": "HP:0030858" + }, + { + "key": "decreases activity of", + "source": "MESH:D009270", + "target": "UniProt:P41143" + }, + { + "key": "positively correlated with", + "source": "UniProt:P41143", + "target": "GO:0061527" + }, + { + "key": "decreases activity of", + "source": "MESH:D009270", + "target": "UniProt:P35372" + }, + { + "key": "positively correlated with", + "source": "UniProt:P35372", + "target": "GO:0061527" + }, + { + "key": "positively correlated with", + "source": "GO:0061527", + "target": "HP:0030858" + }, + { + "key": "occurs in", + "source": "HP:0030858", + "target": "MESH:D000437" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009270", + "label": "Drug", + "name": "Naltrexone" + }, + { + "id": "UniProt:P41145", + "label": "Protein", + "name": "Kappa-type opioid receptor" + }, + { + "id": "UniProt:P01213", + "label": "Protein", + "name": "Proenkephalin-B" + }, + { + "id": "HP:0030858", + "label": "PhenotypicFeature", + "name": "Addictive behavior" + }, + { + "id": "UniProt:P41143", + "label": "Protein", + "name": "Delta-type opioid receptor" + }, + { + "id": "UniProt:P35372", + "label": "Protein", + "name": "Mu-type opioid receptor" + }, + { + "id": "GO:0061527", + "label": "BiologicalProcess", + "name": "Dopamine secretion, neurotransmission" + }, + { + "id": "MESH:D000437", + "label": "Disease", + "name": "Alcoholism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00704", + "https://en.wikipedia.org/wiki/Naltrexone#Pharmacology", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2565602/" + ] + }, + { + "comment": "Naltrexone is associated with minimal weight loss as monotherapy, but has potential utility in the treatment of obesity when combined with Pro-opiomelanocortin activator - bupropion.", + "directed": true, + "graph": { + "_id": "DB00704_MESH_D009765_1", + "disease": "Obesity", + "disease_mesh": "MESH:D009765", + "drug": "Naltrexone", + "drug_mesh": "MESH:D009270", + "drugbank": "DB:DB00704" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D009270", + "target": "MESH:D009765" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009270", + "label": "Drug", + "name": "Naltrexone" + }, + { + "id": "MESH:D009765", + "label": "Disease", + "name": "Obesity" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00704", + "https://pubmed.ncbi.nlm.nih.gov/19537999/" + ] + }, + { + "comment": "This medication is reserved for tumors that express PD-L1 or have high mutation burden.", + "directed": true, + "graph": { + "_id": "DB11595_MESH_D002295_1", + "disease": "Transitional cell carcinoma", + "disease_mesh": "MESH:D002295", + "drug": "atezolizumab", + "drug_mesh": "MESH:C000594389", + "drugbank": "DB:DB11595" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C000594389", + "target": "UniProt:Q9NZQ7" + }, + { + "key": "negatively regulates", + "source": "UniProt:Q9NZQ7", + "target": "GO:0042098" + }, + { + "key": "negatively regulates", + "source": "UniProt:Q9NZQ7", + "target": "GO:0042110" + }, + { + "key": "positively correlated with", + "source": "GO:0042098", + "target": "GO:0002424" + }, + { + "key": "positively correlated with", + "source": "GO:0042110", + "target": "GO:0002424" + }, + { + "key": "negatively correlated with", + "source": "GO:0002424", + "target": "MESH:D002295" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C000594389", + "label": "Drug", + "name": "Atezolizumab" + }, + { + "id": "UniProt:Q9NZQ7", + "label": "Protein", + "name": "Programmed cell death 1 ligand 1" + }, + { + "id": "GO:0042098", + "label": "BiologicalProcess", + "name": "T cell proliferation" + }, + { + "id": "GO:0042110", + "label": "BiologicalProcess", + "name": "T cell activation" + }, + { + "id": "GO:0002424", + "label": "BiologicalProcess", + "name": "T cell mediated immune response to tumor cell" + }, + { + "id": "MESH:D002295", + "label": "Disease", + "name": "Transitional cell carcinoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB11595", + "https://en.wikipedia.org/wiki/Atezolizumab#Pharmacology", + "https://en.wikipedia.org/wiki/PD-1_and_PD-L1_inhibitors" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB12478_MESH_D020734_1", + "disease": "Parkinsonism", + "disease_mesh": "MESH:D020734", + "drug": "Piribedil", + "drug_mesh": "MESH:D010891", + "drugbank": "DB:DB12478" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D010891", + "target": "UniProt:P14416" + }, + { + "key": "increases activity of", + "source": "MESH:D010891", + "target": "UniProt:P35462" + }, + { + "key": "positively correlated with", + "source": "UniProt:P14416", + "target": "MESH:D004298" + }, + { + "key": "positively correlated with", + "source": "UniProt:P35462", + "target": "MESH:D004298" + }, + { + "key": "positively correlated with", + "source": "MESH:D004298", + "target": "GO:0061527" + }, + { + "key": "disrupted by", + "source": "GO:0061527", + "target": "MESH:D020734" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010891", + "label": "Drug", + "name": "Piribedil" + }, + { + "id": "UniProt:P14416", + "label": "Protein", + "name": "D(2) dopamine receptor" + }, + { + "id": "UniProt:P35462", + "label": "Protein", + "name": "D(3) dopamine receptor" + }, + { + "id": "MESH:D004298", + "label": "ChemicalSubstance", + "name": "Dopamine" + }, + { + "id": "GO:0061527", + "label": "BiologicalProcess", + "name": "Dopamine secretion, neurotransmission" + }, + { + "id": "MESH:D020734", + "label": "Disease", + "name": "Parkinsonism" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Piribedil", + "https://en.wikipedia.org/wiki/Parkinsonism" + ] + }, + { + "comment": "Levomefolic acid can be found in contraceptive pills as a source of folic acid to help to prevent spinal cord birth defects in an unborn baby. There has not been any evidence to support that levomefolic acid on its own is an indication for acne vulgaris. When combined with hormones such as progestin and estrogen (birth pill) it can be used to treat moderate acne as well as premenstrual dysphoric disorder (https://www.webmd.com/drugs/2/drug-154717/beyaz-oral/details), but not on its own.", + "directed": true, + "graph": { + "_id": "DB11256_MESH_D000152_1", + "disease": "Acne vulgaris", + "disease_mesh": "MESH:D000152", + "drug": "levomefolic acid", + "drug_mesh": "MESH:C569381", + "drugbank": "DB:DB11256" + }, + "links": [ + { + "key": "treats", + "source": "MESH:C569381", + "target": "MESH:D000152" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C569381", + "label": "Drug", + "name": "levomefolic acid" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2010/022532Orig1s000CrossR.pdf" + ] + }, + { + "comment": "Levomefolic acid can be found in contraceptive pills as a source of folic acid to help to prevent spinal cord birth defects in an unborn baby. There has not been any evidence to support that levomefolic acid on its own is an indication for acne vulgaris. When combined with hormones such as progestin and estrogen (birth pill) it can be used to treat moderate acne as well as premenstrual dysphoric disorder (https://www.webmd.com/drugs/2/drug-154717/beyaz-oral/details), but not on its own.", + "directed": true, + "graph": { + "_id": "DB11256_MESH_D065446_1", + "disease": "Premenstrual dysphoric disorder", + "disease_mesh": "MESH:D065446", + "drug": "levomefolic acid", + "drug_mesh": "MESH:C569381", + "drugbank": "DB:DB11256" + }, + "links": [ + { + "key": "treats", + "source": "MESH:C569381", + "target": "MESH:D065446" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C569381", + "label": "Drug", + "name": "levomefolic acid" + }, + { + "id": "MESH:D065446", + "label": "Disease", + "name": "Premenstrual dysphoric disorder" + } + ], + "reference": [ + "https://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=58cd12d3-39b1-4375-b7e0-09ba2378a52b" + ] + }, + { + "comment": "The drug stimulates the expression of several genes (e.g. HSP, SOD, etc) but it's not clear if the drug binds to these or other targets to modulate the known actions namely oxygen radical scavenging, anti-oxidation, anti-inflammation, and acceleration of gastrointestinal wound healing.", + "directed": true, + "graph": { + "_id": "DB09221_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MESH:D010437", + "drug": "polaprezinc", + "drug_mesh": "MESH:C061957", + "drugbank": "DB:DB09221" + }, + "links": [ + { + "key": "decreases abundance of", + "source": "MESH:C061957", + "target": "CHEBI:26523" + }, + { + "key": "positively correlated with", + "source": "MESH:C061957", + "target": "GO:0070254" + }, + { + "key": "negatively correlated with", + "source": "MESH:C061957", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MESH:D010437" + }, + { + "key": "negatively correlated with", + "source": "GO:0070254", + "target": "MESH:D010437" + }, + { + "key": "positively correlated with", + "source": "MESH:C061957", + "target": "GO:0042060" + }, + { + "key": "negatively correlated with", + "source": "MESH:C061957", + "target": "taxonomy:210" + }, + { + "key": "causes", + "source": "taxonomy:210", + "target": "MESH:D010437" + }, + { + "key": "negatively correlated with", + "source": "GO:0042060", + "target": "MESH:D010437" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26523", + "target": "MESH:D010437" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C061957", + "label": "Drug", + "name": "polaprezinc" + }, + { + "id": "CHEBI:26523", + "label": "ChemicalSubstance", + "name": "reactive oxygen species" + }, + { + "id": "taxonomy:210", + "label": "OrganismTaxon", + "name": "Helicobacter pylori" + }, + { + "id": "GO:0042060", + "label": "BiologicalProcess", + "name": "Wound Healing" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "GO:0070254", + "label": "BiologicalProcess", + "name": "mucus secretion" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Zinc_L-carnosine#Mechanisms_of_action" + ] + }, + { + "comment": "Dexibuprofen is an active enantiomer of ibuprofen.", + "directed": true, + "graph": { + "_id": "DB09213_MESH_D001172_1", + "disease": "Rheumatoid arthritis", + "disease_mesh": "MESH:D001172", + "drug": "dexibuprofen", + "drug_mesh": "MESH:C539402", + "drugbank": "DB:DB09213" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C539402", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "MESH:C539402", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "MESH:D011453" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0002829" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MESH:D001172" + }, + { + "key": "positively correlated with", + "source": "HP:0002829", + "target": "MESH:D001172" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C539402", + "label": "Drug", + "name": "dexibuprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0002829", + "label": "PhenotypicFeature", + "name": "Arthralgia" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "MESH:D001172", + "label": "Disease", + "name": "Rheumatoid arthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09213#BE0000262", + "https://go.drugbank.com/drugs/DB09213#BE0000017", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL175/", + "https://en.wikipedia.org/wiki/Ibuprofen#Pharmacology" + ] + }, + { + "comment": "The disease is also known as Juvenile rheumatoid arthritis as per DrugCentral. Dexibuprofen is an active enantiomer of ibuprofen.", + "directed": true, + "graph": { + "_id": "DB09213_MESH_D001171_1", + "disease": "Arthritis, Juvenile", + "disease_mesh": "MESH:D001171", + "drug": "dexibuprofen", + "drug_mesh": "MESH:C539402", + "drugbank": "DB:DB09213" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C539402", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "MESH:C539402", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "MESH:D011453" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0002829" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MESH:D001171" + }, + { + "key": "positively correlated with", + "source": "HP:0002829", + "target": "MESH:D001171" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C539402", + "label": "Drug", + "name": "dexibuprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0002829", + "label": "PhenotypicFeature", + "name": "Arthralgia" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "MESH:D001171", + "label": "Disease", + "name": "Arthritis, Juvenile" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09213#BE0000262", + "https://go.drugbank.com/drugs/DB09213#BE0000017", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL175/", + "https://en.wikipedia.org/wiki/Ibuprofen#Pharmacology" + ] + }, + { + "comment": "Dexibuprofen is an active enantiomer of ibuprofen.", + "directed": true, + "graph": { + "_id": "DB09213_MESH_D010003_1", + "disease": "Osteoarthritis", + "disease_mesh": "MESH:D010003", + "drug": "dexibuprofen", + "drug_mesh": "MESH:C539402", + "drugbank": "DB:DB09213" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C539402", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "MESH:C539402", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "MESH:D011453" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0002829" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MESH:D010003" + }, + { + "key": "positively correlated with", + "source": "HP:0002829", + "target": "MESH:D010003" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C539402", + "label": "Drug", + "name": "dexibuprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0002829", + "label": "PhenotypicFeature", + "name": "Arthralgia" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "MESH:D010003", + "label": "Disease", + "name": "Osteoarthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09213#BE0000262", + "https://go.drugbank.com/drugs/DB09213#BE0000017", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL175/", + "https://en.wikipedia.org/wiki/Ibuprofen#Pharmacology" + ] + }, + { + "comment": "Dexibuprofen is an active enantiomer of ibuprofen.", + "directed": true, + "graph": { + "_id": "DB09213_MESH_D005334_1", + "disease": "Fever", + "disease_mesh": "MESH:D005334", + "drug": "dexibuprofen", + "drug_mesh": "MESH:C539402", + "drugbank": "DB:DB09213" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C539402", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "MESH:C539402", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "MESH:D011453" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "MESH:D005334" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C539402", + "label": "Drug", + "name": "dexibuprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "MESH:D005334", + "label": "Disease", + "name": "Fever" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09213#BE0000262", + "https://go.drugbank.com/drugs/DB09213#BE0000017", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL175/", + "https://en.wikipedia.org/wiki/Ibuprofen#Pharmacology", + "https://en.wikipedia.org/wiki/Fever#PGE2_release" + ] + }, + { + "comment": "Dexibuprofen is an active enantiomer of ibuprofen.", + "directed": true, + "graph": { + "_id": "DB09213_MESH_D010146_1", + "disease": "Pain", + "disease_mesh": "MESH:D010146", + "drug": "dexibuprofen", + "drug_mesh": "MESH:C539402", + "drugbank": "DB:DB09213" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C539402", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "MESH:C539402", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "MESH:D011453" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "MESH:D010146" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C539402", + "label": "Drug", + "name": "dexibuprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "MESH:D010146", + "label": "Disease", + "name": "Pain" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09213#BE0000262", + "https://go.drugbank.com/drugs/DB09213#BE0000017", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL175/", + "https://en.wikipedia.org/wiki/Ibuprofen#Pharmacology", + "https://en.wikipedia.org/wiki/Fever#PGE2_release" + ] + }, + { + "comment": "Dexibuprofen is an active enantiomer of ibuprofen.", + "directed": true, + "graph": { + "_id": "DB09213_MESH_D006261_1", + "disease": "Headache Disorders", + "disease_mesh": "MESH:D006261", + "drug": "dexibuprofen", + "drug_mesh": "MESH:C539402", + "drugbank": "DB:DB09213" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C539402", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "MESH:C539402", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "MESH:D011453" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0012531" + }, + { + "key": "manifestation of", + "source": "HP:0012531", + "target": "MESH:D006261" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C539402", + "label": "Drug", + "name": "dexibuprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0012531", + "label": "PhenotypicFeature", + "name": "Pain" + }, + { + "id": "MESH:D006261", + "label": "Disease", + "name": "Headache Disorders" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09213#BE0000262", + "https://go.drugbank.com/drugs/DB09213#BE0000017", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL175/", + "https://en.wikipedia.org/wiki/Ibuprofen#Pharmacology", + "https://en.wikipedia.org/wiki/Fever#PGE2_release" + ] + }, + { + "comment": "Dexibuprofen is an active enantiomer of ibuprofen.", + "directed": true, + "graph": { + "_id": "DB09213_MESH_D004412_1", + "disease": "Dysmenorrhea", + "disease_mesh": "MESH:D004412", + "drug": "dexibuprofen", + "drug_mesh": "MESH:C539402", + "drugbank": "DB:DB09213" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C539402", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "MESH:C539402", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "MESH:D011453" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0012531" + }, + { + "key": "manifestation of", + "source": "HP:0012531", + "target": "MESH:D004412" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C539402", + "label": "Drug", + "name": "dexibuprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0012531", + "label": "PhenotypicFeature", + "name": "Pain" + }, + { + "id": "MESH:D004412", + "label": "Disease", + "name": "Dysmenorrhea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09213#BE0000262", + "https://go.drugbank.com/drugs/DB09213#BE0000017", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL175/", + "https://en.wikipedia.org/wiki/Ibuprofen#Pharmacology", + "https://en.wikipedia.org/wiki/Fever#PGE2_release" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB08890_MESH_D043183_1", + "disease": "Irritable bowel syndrome", + "disease_mesh": "MESH:D043183", + "drug": "linaclotide", + "drug_mesh": "MESH:C523483", + "drugbank": "DB:DB08890" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:C523483", + "target": "UniProt:P25092" + }, + { + "key": "positively regulates", + "source": "UniProt:P25092", + "target": "GO:0006182" + }, + { + "key": "increases activity of", + "source": "GO:0006182", + "target": "UBERON:0025525" + }, + { + "key": "negatively correlated with", + "source": "UBERON:0025525", + "target": "HP:0030895" + }, + { + "key": "decreases activity of", + "source": "GO:0006182", + "target": "UBERON:0001800" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001800", + "target": "HP:0012531" + }, + { + "key": "manifestation of", + "source": "HP:0030895", + "target": "MESH:D043183" + }, + { + "key": "manifestation of", + "source": "HP:0012531", + "target": "MESH:D043183" + }, + { + "key": "positively correlated with", + "source": "GO:0006182", + "target": "GO:0015701" + }, + { + "key": "positively correlated with", + "source": "GO:0006182", + "target": "GO:0006821" + }, + { + "key": "positively correlated with", + "source": "GO:0006182", + "target": "GO:0006833" + }, + { + "key": "positively correlated with", + "source": "GO:0015701", + "target": "MESH:D007419" + }, + { + "key": "positively correlated with", + "source": "GO:0006821", + "target": "MESH:D007419" + }, + { + "key": "positively correlated with", + "source": "GO:0006833", + "target": "MESH:D007419" + }, + { + "key": "positively correlated with", + "source": "GO:0015701", + "target": "GO:0120054" + }, + { + "key": "positively correlated with", + "source": "GO:0006821", + "target": "GO:0120054" + }, + { + "key": "positively correlated with", + "source": "GO:0006833", + "target": "GO:0120054" + }, + { + "key": "negatively correlated with", + "source": "GO:0120054", + "target": "MESH:D043183" + }, + { + "key": "negatively correlated with", + "source": "MESH:D007419", + "target": "MESH:D043183" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C523483", + "label": "Drug", + "name": "linaclotide" + }, + { + "id": "UniProt:P25092", + "label": "Protein", + "name": "Heat-stable enterotoxin receptor" + }, + { + "id": "GO:0006182", + "label": "BiologicalProcess", + "name": "cGMP biosynthetic process" + }, + { + "id": "GO:0015701", + "label": "BiologicalProcess", + "name": "bicarbonate transport" + }, + { + "id": "GO:0006821", + "label": "BiologicalProcess", + "name": "chloride transport" + }, + { + "id": "GO:0006833", + "label": "BiologicalProcess", + "name": "water transport" + }, + { + "id": "MESH:D007419", + "label": "ChemicalSubstance", + "name": "Intestinal Secretions" + }, + { + "id": "GO:0120054", + "label": "BiologicalProcess", + "name": "intestinal motility" + }, + { + "id": "UBERON:0001800", + "label": "GrossAnatomicalStructure", + "name": "sensory ganglion" + }, + { + "id": "UBERON:0025525", + "label": "GrossAnatomicalStructure", + "name": "motor system" + }, + { + "id": "HP:0030895", + "label": "PhenotypicFeature", + "name": "Abnormal gastrointestinal motility" + }, + { + "id": "HP:0012531", + "label": "PhenotypicFeature", + "name": "Pain" + }, + { + "id": "MESH:D043183", + "label": "Disease", + "name": "Irritable bowel syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08890#mechanism-of-action", + "https://en.wikipedia.org/wiki/Linaclotide#Pharmacology" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06480_MESH_D003248_1", + "disease": "Constipation", + "disease_mesh": "MESH:D003248", + "drug": "prucalopride", + "drug_mesh": "MESH:C406662", + "drugbank": "DB:DB06480" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:C406662", + "target": "UniProt:Q13639" + }, + { + "key": "positively regulates", + "source": "UniProt:Q13639", + "target": "GO:0061526" + }, + { + "key": "positively correlated with", + "source": "GO:0061526", + "target": "GO:0120054" + }, + { + "key": "negatively correlated with", + "source": "GO:0120054", + "target": "MESH:D003248" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C406662", + "label": "Drug", + "name": "prucalopride" + }, + { + "id": "UniProt:Q13639", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 4" + }, + { + "id": "GO:0061526", + "label": "BiologicalProcess", + "name": "acetylcholine secretion" + }, + { + "id": "GO:0120054", + "label": "BiologicalProcess", + "name": "intestinal motility" + }, + { + "id": "MESH:D003248", + "label": "Disease", + "name": "Constipation" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06480#mechanism-of-action", + "https://en.wikipedia.org/wiki/Prucalopride#Mechanism_of_action" + ] + }, + { + "comments": "The disease is denoted Menopausal flushing in the original file as per DrugCentral. The etiology of hot flashes has yet to be determined (https://pubmed.ncbi.nlm.nih.gov/15065632/).", + "directed": true, + "graph": { + "_id": "DB06401_MESH_D019584_1", + "disease": "Hot Flashes", + "disease_mesh": "MESH:D019584", + "drug": "bazedoxifene", + "drug_mesh": "MESH:C447119", + "drugbank": "DB:DB06401" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C447119", + "target": "UniProt:P03372" + }, + { + "key": "increases activity of", + "source": "MESH:C447119", + "target": "UniProt:Q92731" + }, + { + "key": "positively regulates", + "source": "UniProt:P03372", + "target": "GO:0006874" + }, + { + "key": "regulates", + "source": "UniProt:Q92731", + "target": "GO:0097746" + }, + { + "key": "correlated with", + "source": "GO:0097746", + "target": "MESH:D014666" + }, + { + "key": "regulates", + "source": "GO:0006874", + "target": "MESH:D014666" + }, + { + "key": "positively regulates", + "source": "MESH:D014666", + "target": "GO:0001659" + }, + { + "key": "negatively correlated with", + "source": "GO:0001659", + "target": "HP:0005968" + }, + { + "key": "positively correlated with", + "source": "HP:0005968", + "target": "MESH:D019584" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C447119", + "label": "Drug", + "name": "bazedoxifene" + }, + { + "id": "UniProt:P03372", + "label": "Protein", + "name": "Estrogen receptor" + }, + { + "id": "UniProt:Q92731", + "label": "Protein", + "name": "Estrogen receptor beta" + }, + { + "id": "GO:0097746", + "label": "BiologicalProcess", + "name": "blood vessel diameter maintenance" + }, + { + "id": "GO:0006874", + "label": "BiologicalProcess", + "name": "cellular calcium ion homeostasis" + }, + { + "id": "MESH:D014666", + "label": "GrossAnatomicalStructure", + "name": "Vasomotor System" + }, + { + "id": "GO:0001659", + "label": "BiologicalProcess", + "name": "temperature homeostasis" + }, + { + "id": "HP:0005968", + "label": "PhenotypicFeature", + "name": "Temperature instability" + }, + { + "id": "MESH:D019584", + "label": "Disease", + "name": "Hot Flashes" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06401#mechanism-of-action", + "https://en.wikipedia.org/wiki/Bazedoxifene#Pharmacology", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL46740/" + ] + }, + { + "comments": "The disease is denoted Postmenopausal osteoporosis in the original file as per DrugCentral.", + "directed": true, + "graph": { + "_id": "DB06401_MESH_D015663_1", + "disease": "Osteoporosis, Postmenopausal", + "disease_mesh": "MESH:D015663", + "drug": "bazedoxifene", + "drug_mesh": "MESH:C447119", + "drugbank": "DB:DB06401" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C447119", + "target": "UniProt:P03372" + }, + { + "key": "increases activity of", + "source": "MESH:C447119", + "target": "UniProt:Q92731" + }, + { + "key": "positively regulates", + "source": "UniProt:P03372", + "target": "GO:0006874" + }, + { + "key": "positively correlated with", + "source": "GO:0006874", + "target": "GO:0001503" + }, + { + "key": "positively correlated with", + "source": "UniProt:Q92731", + "target": "GO:0001503" + }, + { + "key": "negatively correlated with", + "source": "GO:0001503", + "target": "MESH:D015663" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C447119", + "label": "Drug", + "name": "bazedoxifene" + }, + { + "id": "UniProt:P03372", + "label": "Protein", + "name": "Estrogen receptor" + }, + { + "id": "UniProt:Q92731", + "label": "Protein", + "name": "Estrogen receptor beta" + }, + { + "id": "GO:0001503", + "label": "BiologicalProcess", + "name": "ossification" + }, + { + "id": "GO:0006874", + "label": "BiologicalProcess", + "name": "cellular calcium ion homeostasis" + }, + { + "id": "MESH:D015663", + "label": "Disease", + "name": "Osteoporosis, Postmenopausal" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06401#mechanism-of-action", + "https://en.wikipedia.org/wiki/Bazedoxifene#Pharmacology", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL46740/" + ] + }, + { + "comment": "The drug enables ribosomes to bypass premature stop codons caused by nonsense mutations in the dystrophin gene. This restores the full-length and functional capability of dystrophin. Without the drug, the premature stop codon means that a truncated protein will be produced, which will be unabled to play its role in muscle strenght and proper function leading to the disease. The disease is denoted Duchenne muscular dystrophy in the original file as per DrugCentral.", + "directed": true, + "graph": { + "_id": "DB05016_MESH_D020388_1", + "disease": "Muscular Dystrophy, Duchenne", + "disease_mesh": "MESH:D020388", + "drug": "ataluren", + "drug_mesh": "MESH:C515878", + "drugbank": "DB:DB05016" + }, + "links": [ + { + "key": "positively correlated with", + "source": "MESH:C515878", + "target": "UniProt:P11532" + }, + { + "key": "disrupted by", + "source": "UniProt:P11532", + "target": "MESH:D018389" + }, + { + "key": "predisposes", + "source": "MESH:D018389", + "target": "MESH:D059365" + }, + { + "key": "positively correlated with", + "source": "MESH:D059365", + "target": "HP:0003323" + }, + { + "key": "manifestation of", + "source": "HP:0003323", + "target": "MESH:D020388" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C515878", + "label": "Drug", + "name": "ataluren" + }, + { + "id": "UniProt:P11532", + "label": "Protein", + "name": "Dystrophin" + }, + { + "id": "MESH:D018389", + "label": "ChemicalSubstance", + "name": "Codon, Nonsense" + }, + { + "id": "MESH:D059365", + "label": "BiologicalProcess", + "name": "Nonsense Mediated mRNA Decay" + }, + { + "id": "HP:0003323", + "label": "PhenotypicFeature", + "name": "Progressive muscle weakness" + }, + { + "id": "MESH:D020388", + "label": "Disease", + "name": "Muscular Dystrophy, Duchenne" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB05016#mechanism-of-action", + "https://en.wikipedia.org/wiki/Ataluren#Pharmacology" + ] + }, + { + "comment": "MESH:C061212 is not an alternative MESH ID for this drug (https://meshb.nlm.nih.gov/record/ui?ui=C061212).", + "directed": true, + "graph": { + "_id": "DB01057_MESH_D004948_1", + "disease": "Esotropia", + "disease_mesh": "MESH:D004948", + "drug": "Echothiophate Iodide", + "drug_mesh": "MESH:D004456", + "drugbank": "DB:DB01057" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004456", + "target": "UniProt:P22303" + }, + { + "key": "decreases activity of", + "source": "MESH:D004456", + "target": "UniProt:P06276" + }, + { + "key": "positively regulates", + "source": "UniProt:P06276", + "target": "GO:0003990" + }, + { + "key": "decreases abundance of", + "source": "GO:0003990", + "target": "MESH:D000109" + }, + { + "key": "positively regulates", + "source": "UniProt:P22303", + "target": "GO:0006581" + }, + { + "key": "decreases abundance of", + "source": "GO:0006581", + "target": "MESH:D000109" + }, + { + "key": "negatively correlated with", + "source": "MESH:D000109", + "target": "HP:0000549" + }, + { + "key": "manifestation of", + "source": "HP:0000549", + "target": "MESH:D004948" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004456", + "label": "Drug", + "name": "Echothiophate Iodide" + }, + { + "id": "UniProt:P22303", + "label": "Protein", + "name": "Acetylcholinesterase" + }, + { + "id": "UniProt:P06276", + "label": "Protein", + "name": "Cholinesterase" + }, + { + "id": "GO:0003990", + "label": "MolecularActivity", + "name": "acetylcholinesterase activity" + }, + { + "id": "GO:0006581", + "label": "BiologicalProcess", + "name": "acetylcholine catabolic process" + }, + { + "id": "MESH:D000109", + "label": "ChemicalSubstance", + "name": "Acetylcholine" + }, + { + "id": "HP:0000549", + "label": "PhenotypicFeature", + "name": "Abnormal conjugate eye movement" + }, + { + "id": "MESH:D004948", + "label": "Disease", + "name": "Esotropia" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201341/", + "https://go.drugbank.com/drugs/DB01057#BE0002180" + ] + }, + { + "comment": "The drug allows for the trabecular meshwork in the eye (UBERON:0005969) to open, increasing the outflow of the aqueous humor and having a positive impact on reducing intraocular pressure. Note that MESH:C061212 is not an alternative MESH ID for this drug (https://meshb.nlm.nih.gov/record/ui?ui=C061212). The disease is also known as Open-angle glaucoma as per in DrugCentral.", + "directed": true, + "graph": { + "_id": "DB01057_MESH_D005902_1", + "disease": "Glaucoma, Open-Angle", + "disease_mesh": "MESH:D005902", + "drug": "Echothiophate Iodide", + "drug_mesh": "MESH:D004456", + "drugbank": "DB:DB01057" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004456", + "target": "UniProt:P22303" + }, + { + "key": "decreases activity of", + "source": "MESH:D004456", + "target": "UniProt:P06276" + }, + { + "key": "positively regulates", + "source": "UniProt:P06276", + "target": "GO:0003990" + }, + { + "key": "decreases abundance of", + "source": "GO:0003990", + "target": "MESH:D000109" + }, + { + "key": "positively regulates", + "source": "UniProt:P22303", + "target": "GO:0006581" + }, + { + "key": "decreases abundance of", + "source": "GO:0006581", + "target": "MESH:D000109" + }, + { + "key": "positively correlated with", + "source": "MESH:D000109", + "target": "HP:0000616" + }, + { + "key": "negatively correlated with", + "source": "HP:0000616", + "target": "UBERON:0001796" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001796", + "target": "HP:0007906" + }, + { + "key": "manifestation of", + "source": "HP:0007906", + "target": "MESH:D005902" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004456", + "label": "Drug", + "name": "Echothiophate Iodide" + }, + { + "id": "UniProt:P22303", + "label": "Protein", + "name": "Acetylcholinesterase" + }, + { + "id": "UniProt:P06276", + "label": "Protein", + "name": "Cholinesterase" + }, + { + "id": "GO:0003990", + "label": "MolecularActivity", + "name": "acetylcholinesterase activity" + }, + { + "id": "GO:0006581", + "label": "BiologicalProcess", + "name": "acetylcholine catabolic process" + }, + { + "id": "MESH:D000109", + "label": "ChemicalSubstance", + "name": "Acetylcholine" + }, + { + "id": "HP:0000616", + "label": "PhenotypicFeature", + "name": "Miosis" + }, + { + "id": "UBERON:0001796", + "label": "GrossAnatomicalStructure", + "name": "aqueous humor of eyeball" + }, + { + "id": "HP:0007906", + "label": "PhenotypicFeature", + "name": "Ocular hypertension" + }, + { + "id": "MESH:D005902", + "label": "Disease", + "name": "Glaucoma, Open-Angle" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201341/", + "https://go.drugbank.com/drugs/DB01057#BE0002180" + ] + }, + { + "comment": "The drug allows for the trabecular meshwork in the eye (UBERON:0005969) to open, increasing the outflow of the aqueous humor and having a positive impact on reducing intraocular pressure. Note that MESH:C061212 is not an alternative MESH ID for this drug (https://meshb.nlm.nih.gov/record/ui?ui=C061212).", + "directed": true, + "graph": { + "_id": "DB01057_MESH_D005901_1", + "disease": "Glaucoma", + "disease_mesh": "MESH:D005901", + "drug": "Echothiophate Iodide", + "drug_mesh": "MESH:D004456", + "drugbank": "DB:DB01057" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004456", + "target": "UniProt:P22303" + }, + { + "key": "decreases activity of", + "source": "MESH:D004456", + "target": "UniProt:P06276" + }, + { + "key": "positively regulates", + "source": "UniProt:P06276", + "target": "GO:0003990" + }, + { + "key": "decreases abundance of", + "source": "GO:0003990", + "target": "MESH:D000109" + }, + { + "key": "positively regulates", + "source": "UniProt:P22303", + "target": "GO:0006581" + }, + { + "key": "decreases abundance of", + "source": "GO:0006581", + "target": "MESH:D000109" + }, + { + "key": "positively correlated with", + "source": 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"MESH:D001172", + "label": "Disease", + "name": "Rheumatoid arthritis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Azathioprine", + "https://go.drugbank.com/drugs/DB00993" + ] + }, + { + "comment": "Flupentixol is not approved for use in the United States. Flupentixol exists in two geometric isomers, the trans(E) and pharmacologically active cis(Z) forms.It is generally understood that positive symptoms of schizophrenia arise from a dysregulated striatal dopamine pathway, leading to hyperstimulation of D2 receptors.", + "directed": true, + "graph": { + "_id": "DB00875_MESH_D012559_1", + "disease": "Schizophrenia", + "disease_mesh": "MESH:D012559", + "drug": "flupentixol", + "drug_mesh": "MESH:D005475", + "drugbank": "DB:DB00875" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D005475", + "target": "UniProt:P14416" + }, + { + "key": "positively correlated with", + "source": "UniProt:P14416", + "target": "reactome:R-HSA-390651" + }, + { + "key": "correlated with", + "source": "reactome:R-HSA-390651", + "target": "MESH:D012559" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005475", + "label": "Drug", + "name": "Flupentixol" + }, + { + "id": "UniProt:P14416", + "label": "Protein", + "name": "D(2) dopamine receptor" + }, + { + "id": "reactome:R-HSA-390651", + "label": "Pathway", + "name": "Dopamine receptors" + }, + { + "id": "MESH:D012559", + "label": "Disease", + "name": "Schizophrenia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00875" + ] + }, + { + "comment": "The link between guanfacine\u2019s molecular mechanism and it\u2019s effect on the treatment of ADHD has not been determined", + "directed": true, + "graph": { + "_id": "DB01018_MESH_D001289_1", + "disease": "Attention deficit hyperactivity disorder", + "disease_mesh": "MESH:D001289", + "drug": "guanfacine", + "drug_mesh": "MESH:D016316", + "drugbank": "DB:DB01018" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D016316", + "target": "UniProt:P08913" + }, + { + "key": "treats", + "source": "UniProt:P08913", + "target": "MESH:D001289" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D016316", + "label": "Drug", + "name": "Guanfacine" + }, + { + "id": 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"DB08820_MESH_D003550_1", + "disease": "Cystic fibrosis of the lung", + "disease_mesh": "MESH:D003550", + "drug": "Ivacaftor", + "drug_mesh": "MESH:C545203", + "drugbank": "DB:DB08820" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C545203", + "target": "UniProt:P13569" + }, + { + "key": "disrupted by", + "source": "UniProt:P13569", + "target": "MESH:D003550" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C545203", + "label": "Drug", + "name": "Ivacaftor" + }, + { + "id": "UniProt:P13569", + "label": "Protein", + "name": "Cystic fibrosis transmembrane conductance regulator" + }, + { + "id": "MESH:D003550", + "label": "Disease", + "name": "Cystic fibrosis of the lung" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08820" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01586_MESH_D002769_1", + "disease": "Cholelithiasis", + "disease_mesh": "MESH:D002769", + "drug": "Ursodeoxycholic Acid", + "drug_mesh": "MESH:D014580", + 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of the Voltage-gated L-type calcium channel protein family (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1275868/) or T-type calcium channel protein family (https://en.wikipedia.org/wiki/Azelnidipine).", + "directed": true, + "graph": { + "_id": "DB09230_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MESH:D006973", + "drug": "azelnidipine", + "drug_mesh": "MESH:C061679", + "drugbank": "DB:DB09230" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C061679", + "target": "UniProt:Q02641" + }, + { + "key": "positively regulates", + "source": "UniProt:Q02641", + "target": "GO:0061577" + }, + { + "key": "positively regulates", + "source": "GO:0061577", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0032263" + }, + { + "key": "manifestation of", + "source": "HP:0032263", + "target": "MESH:D006973" + } + ], + "multigraph": true, + "nodes": [ + { + "id": 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"key": "increases activity of", + "source": "MESH:D003918", + "target": "UniProt:P10827" + }, + { + "key": "increases activity of", + "source": "MESH:D003918", + "target": "UniProt:P10828" + }, + { + "key": "positively correlated with", + "source": "UniProt:P10827", + "target": "GO:0006707" + }, + { + "key": "increases activity of", + "source": "UniProt:P10828", + "target": "UniProt:P01130" + }, + { + "key": "positively correlated with", + "source": "UniProt:P01130", + "target": "GO:0043691" + }, + { + "key": "positively correlated with", + "source": "UniProt:P01130", + "target": "GO:0034381" + }, + { + "key": "negatively correlated with", + "source": "GO:0006707", + "target": "MESH:D006949" + }, + { + "key": "negatively correlated with", + "source": "GO:0043691", + "target": "MESH:D006949" + }, + { + "key": "negatively correlated with", + "source": "GO:0034381", + "target": "MESH:D006949" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003918", + "label": "Drug", + "name": "dextrothyroxine" + }, + { + "id": "UniProt:P10827", + "label": "Protein", + "name": "Thyroid hormone receptor alpha" + }, + { + "id": "UniProt:P10828", + "label": "Protein", + "name": "Thyroid hormone receptor beta" + }, + { + "id": "GO:0006707", + "label": "BiologicalProcess", + "name": "cholesterol catabolic process" + }, + { + "id": "UniProt:P01130", + "label": "Protein", + "name": "Low-density lipoprotein receptor" + }, + { + "id": "GO:0043691", + "label": "BiologicalProcess", + "name": "reverse cholesterol transport" + }, + { + "id": "GO:0034381", + "label": "BiologicalProcess", + "name": "plasma lipoprotein particle clearance" + }, + { + "id": "MESH:D006949", + "label": "Disease", + "name": "Hyperlipidemias" + } + ], + "reference": [ + "https://pubmed.ncbi.nlm.nih.gov/9440092/", + "https://pubmed.ncbi.nlm.nih.gov/20935564/", + "https://go.drugbank.com/drugs/DB00509#mechanism-of-action", + "https://en.wikipedia.org/wiki/Triiodothyronine#Lipids" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00195_MESH_D009798_1", + "disease": "Ocular hypertension", + "disease_mesh": "MESH:D009798", + "drug": "betaxolol", + "drug_mesh": "MESH:D015784", + "drugbank": "DB:DB00195" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D015784", + "target": "UniProt:P08588" + }, + { + "key": "participates in", + "source": "UniProt:P08588", + "target": "reactome:R-HSA-418555" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-418555", + "target": "CHEBI:17489" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17489", + "target": "UBERON:0001796" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001796", + "target": "MESH:D009798" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015784", + "label": "Drug", + "name": "betaxolol" + }, + { + "id": "UniProt:P08588", + "label": "Protein", + "name": "Beta-1 adrenergic receptor" + }, + { + "id": "reactome:R-HSA-418555", + "label": 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humor of eyeball" + }, + { + "id": "HP:0007906", + "label": "PhenotypicFeature", + "name": "Ocular Hypertension" + }, + { + "id": "MESH:D005902", + "label": "Disease", + "name": "Open-angle glaucoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00195#mechanism-of-action", + "https://en.wikipedia.org/wiki/Betaxolol", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL423/", + "https://pubchem.ncbi.nlm.nih.gov/compound/2369#section=Pharmacology-and-Biochemistry" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00303_MESH_D018784_1", + "disease": "Abdominal abscess", + "disease_mesh": "MESH:D018784", + "drug": "ertapenem", + "drug_mesh": "MESH:C446479", + "drugbank": "DB:DB00303" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C446479", + "target": "Pfam:PF00905" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00905", + "target": "GO:0009252" + }, + { + "key": "in taxon", + "source": "GO:0009252", + "target": 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"links": [ + { + "key": "negatively regulates", + "source": "MESH:C446479", + "target": "Pfam:PF00905" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00905", + "target": "GO:0009252" + }, + { + "key": "in taxon", + "source": "GO:0009252", + "target": "taxonomy:1313" + }, + { + "key": "causes", + "source": "taxonomy:1313", + "target": "MESH:D011018" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C446479", + "label": "Drug", + "name": "ertapenem" + }, + { + "id": "Pfam:PF00905", + "label": "GeneFamily", + "name": "Penicillin binding proteins" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "taxonomy:1313", + "label": "OrganismTaxon", + "name": "Streptococcus pneumoniae" + }, + { + "id": "MESH:D011018", + "label": "Disease", + "name": "Pneumococcal pneumonia" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Ertapenem#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1359/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00303_MESH_D059413_1", + "disease": "Infectious disease of abdomen", + "disease_mesh": "MESH:D059413", + "drug": "ertapenem", + "drug_mesh": "MESH:C446479", + "drugbank": "DB:DB00303" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C446479", + "target": "Pfam:PF00905" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00905", + "target": "GO:0009252" + }, + { + "key": "in taxon", + "source": "GO:0009252", + "target": "taxonomy:562" + }, + { + "key": "in taxon", + "source": "GO:0009252", + "target": "taxonomy:573" + }, + { + "key": "in taxon", + "source": "GO:0009252", + "target": "taxonomy:550" + }, + { + "key": "in taxon", + "source": "GO:0009252", + "target": "taxonomy:287" + }, + { + "key": "causes", + "source": "taxonomy:573", + "target": "MESH:D059413" + }, + { + "key": "causes", + "source": "taxonomy:550", + "target": "MESH:D059413" + }, + { + "key": "causes", + "source": "taxonomy:287", + "target": "MESH:D059413" + }, + { + "key": "causes", + "source": "taxonomy:562", + "target": "MESH:D059413" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C446479", + "label": "Drug", + "name": "ertapenem" + }, + { + "id": "Pfam:PF00905", + "label": "GeneFamily", + "name": "Penicillin binding proteins" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "taxonomy:562", + "label": "OrganismTaxon", + "name": "Escherichia coli" + }, + { + "id": "taxonomy:573", + "label": "OrganismTaxon", + "name": "Klebsiella pneumoniae" + }, + { + "id": "taxonomy:550", + "label": "OrganismTaxon", + "name": "Enterobacter cloacae" + }, + { + "id": "taxonomy:287", + "label": "OrganismTaxon", + "name": "Pseudomonas aeruginosa" + }, + { + "id": "MESH:D059413", + "label": "Disease", + "name": "Infectious disease of abdomen" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Ertapenem#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1359/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00303_MESH_D018410_2", + "disease": "Bacterial pneumonia", + "disease_mesh": "MESH:D018410", + "drug": "ertapenem", + "drug_mesh": "MESH:C446479", + "drugbank": "DB:DB00303" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C446479", + "target": "Pfam:PF00905" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00905", + "target": "GO:0009252" + }, + { + "key": "in taxon", + "source": "GO:0009252", + "target": "taxonomy:562" + }, + { + "key": "causes", + "source": "taxonomy:562", + "target": "MESH:D018410" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C446479", + "label": "Drug", + "name": "ertapenem" + }, + { + "id": "Pfam:PF00905", + "label": "GeneFamily", + "name": "Penicillin binding proteins" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "taxonomy:562", + "label": "OrganismTaxon", + "name": "Escherichia coli" + }, + { + "id": "MESH:D018410", + "label": "Disease", + "name": "Bacterial pneumonia" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Ertapenem#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1359/" + ] + }, + { + "comment": "L-type calcium channels are modulated by the adrenergic nervous system, hence betaxolol could indirectly modulate L calcium channels, decreasing heart rate and contraction, ultimately decreasing high blood pressure (https://en.wikipedia.org/wiki/L-type_calcium_channel#Inhibition_and_modulation).", + "directed": true, + "graph": { + "_id": "DB00195_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MESH:D006973", + "drug": "betaxolol", + "drug_mesh": "MESH:D015784", + "drugbank": "DB:DB00195" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D015784", + "target": "UniProt:P08588" + }, + { + "key": "participates in", + "source": "UniProt:P08588", + "target": "reactome:R-HSA-418555" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-418555", + "target": "CHEBI:17489" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-418555", + "target": "InterPro:IPR005446" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR005446", + "target": "GO:0060047" + }, + { + "key": "positively correlated with", + "source": "GO:0060047", + "target": "HP:0032263" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17489", + "target": "GO:0060047" + }, + { + "key": "manifestation of", + "source": "HP:0032263", + "target": "MESH:D006973" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015784", + "label": "Drug", + "name": "betaxolol" + }, + { + "id": "UniProt:P08588", + "label": "Protein", + "name": "Beta-1 adrenergic receptor" + }, + { + "id": "reactome:R-HSA-418555", + "label": "Pathway", + "name": "G alpha (s) signalling events" + }, + { + "id": "InterPro:IPR005446", + "label": "GeneFamily", + "name": "Voltage-dependent calcium channel, L-type, alpha-1 subunit" + }, + { + "id": "CHEBI:17489", + "label": "ChemicalSubstance", + "name": "3,5-cyclic AMP" + }, + { + "id": "GO:0060047", + "label": "BiologicalProcess", + "name": "heart contraction" + }, + { + "id": "HP:0032263", + "label": "PhenotypicFeature", + "name": "Increased blood pressure" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00195#mechanism-of-action", + "https://en.wikipedia.org/wiki/Betaxolol", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL423/", + "https://pubchem.ncbi.nlm.nih.gov/compound/2369#section=Pharmacology-and-Biochemistry", + "https://en.wikipedia.org/wiki/CAMP-dependent_pathway#Importance" + ] + }, + { + "comment": "This disease is also known as Herpes simplex keratitis as per DrugCentral. The drug needs to be converted to Vidarabine Phosphate first (monophosphate --> diphosphate --> triphosphate) to become active and exert its role as inhibitor (https://pubchem.ncbi.nlm.nih.gov/compound/21704#section=Mechanism-of-Action).", + "directed": true, + "graph": { + "_id": "DB00194_MESH_D016849_1", + "disease": "Keratitis, Herpetic", + "disease_mesh": "MESH:D016849", + "drug": "vidarabine", + "drug_mesh": "MESH:D014740", + "drugbank": "DB:DB00194" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D014740", + "target": "MESH:D001084" + }, + { + "key": "decreases activity of", + "source": "MESH:D001084", + "target": "UniProt:P04293" + }, + { + "key": "positively regulates", + "source": "UniProt:P04293", + "target": "GO:0039686" + }, + { + "key": "positively regulates", + "source": "UniProt:P04293", + "target": "GO:0090503" + }, + { + "key": "positively regulates", + "source": "UniProt:P04293", + "target": "GO:0043631" + }, + { + "key": "in taxon", + "source": "GO:0043631", + "target": "taxonomy:10299" + }, + { + "key": "in taxon", + "source": "GO:0039686", + "target": "taxonomy:10299" + }, + { + "key": "in taxon", + "source": "GO:0090503", + "target": "taxonomy:10299" + }, + { + "key": "causes", + "source": "taxonomy:10299", + "target": "MESH:D016849" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014740", + "label": "Drug", + "name": "vidarabine" + }, + { + "id": "MESH:D001084", + "label": "ChemicalSubstance", + "name": "Vidarabine Phosphate" + }, + { + "id": "UniProt:P04293", + "label": "Protein", + "name": "DNA polymerase catalytic subunit" + }, + { + "id": "GO:0039686", + "label": "BiologicalProcess", + "name": "bidirectional double-stranded viral DNA replication" + }, + { + "id": "GO:0090503", + "label": "BiologicalProcess", + "name": "RNA phosphodiester bond hydrolysis, exonucleolytic" + }, + { + "id": "GO:0043631", + "label": "BiologicalProcess", + "name": "RNA polyadenylation" + }, + { + "id": "taxonomy:10299", + "label": "OrganismTaxon", + "name": "Human alphaherpesvirus 1 strain 17" + }, + { + "id": "MESH:D016849", + "label": "Disease", + "name": "Keratitis, Herpetic" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1090/", + "https://en.wikipedia.org/wiki/Vidarabine#Mode_of_action", + "https://go.drugbank.com/drugs/DB00194" + ] + }, + { + "comment": "This disease is denoted as Herpes simplex dendritic keratitis in the original file as per DrugCentral. The drug needs to be converted to Vidarabine Phosphate first (monophosphate --> diphosphate --> triphosphate) to become active and exert its role as inhibitor (https://pubchem.ncbi.nlm.nih.gov/compound/21704#section=Mechanism-of-Action).", + "directed": true, + "graph": { + "_id": "DB00194_MESH_D007635_1", + "disease": "Keratitis, Dendritic", + "disease_mesh": "MESH:D007635", + "drug": "vidarabine", + "drug_mesh": "MESH:D014740", + "drugbank": "DB:DB00194" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D014740", + "target": "MESH:D001084" + }, + { + "key": "decreases activity of", + "source": "MESH:D001084", + "target": "UniProt:P04293" + }, + { + "key": "positively regulates", + "source": "UniProt:P04293", + "target": "GO:0039686" + }, + { + "key": "positively regulates", + "source": "UniProt:P04293", + "target": "GO:0090503" + }, + { + "key": "positively regulates", + "source": "UniProt:P04293", + "target": "GO:0043631" + }, + { + "key": "in taxon", + "source": "GO:0043631", + "target": "taxonomy:10299" + }, + { + "key": "in taxon", + "source": "GO:0039686", + "target": "taxonomy:10299" + }, + { + "key": "in taxon", + "source": "GO:0090503", + "target": "taxonomy:10299" + }, + { + "key": "causes", + "source": "taxonomy:10299", + "target": "MESH:D007635" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014740", + "label": "Drug", + "name": "vidarabine" + }, + { + "id": "MESH:D001084", + "label": "ChemicalSubstance", + "name": "Vidarabine Phosphate" + }, + { + "id": "UniProt:P04293", + "label": "Protein", + "name": "DNA polymerase catalytic subunit" + }, + { + "id": "GO:0039686", + "label": "BiologicalProcess", + "name": "bidirectional double-stranded viral DNA replication" + }, + { + "id": "GO:0090503", + "label": "BiologicalProcess", + "name": "RNA phosphodiester bond hydrolysis, exonucleolytic" + }, + { + "id": "GO:0043631", + "label": "BiologicalProcess", + "name": "RNA polyadenylation" + }, + { + "id": "taxonomy:10299", + "label": "OrganismTaxon", + "name": "Human alphaherpesvirus 1 strain 17" + }, + { + "id": "MESH:D007635", + "label": "Disease", + "name": "Keratitis, Dendritic" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1090/", + "https://en.wikipedia.org/wiki/Vidarabine#Mode_of_action", + "https://go.drugbank.com/drugs/DB00194" + ] + }, + { + "comment": "This disease is denoted as Malignant neoplasm of liver in the original file as per DrugCentral.", + "directed": true, + "graph": { + "_id": "DB00322_MESH_D008113_1", + "disease": "Liver Neoplasms", + "disease_mesh": "MESH:D008113", + "drug": "floxuridine", + "drug_mesh": "MESH:D005467", + "drugbank": "DB:DB00322" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D005467", + "target": "CHEBI:46345" + }, + { + "key": "decreases activity of", + "source": "CHEBI:46345", + "target": "UniProt:P04818" + }, + { + "key": "positively regulates", + "source": "UniProt:P04818", + "target": "GO:0006235" + }, + { + "key": "positively regulates", + "source": "UniProt:P04818", + "target": "GO:0006231" + }, + { + "key": "positively correlated with", + "source": "GO:0006231", + "target": "GO:0006260" + }, + { + "key": "positively correlated with", + "source": "GO:0006235", + "target": "GO:0006260" + }, + { + "key": "precedes", + "source": "GO:0006260", + "target": "HP:0031377" + }, + { + "key": "positively correlated with", + "source": "HP:0031377", + "target": "MESH:D008113" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005467", + "label": "Drug", + "name": "floxuridine" + }, + { + "id": "CHEBI:46345", + "label": "ChemicalSubstance", + "name": "5-fluorouracil" + }, + { + "id": "UniProt:P04818", + "label": "Protein", + "name": "Thymidylate synthase" + }, + { + "id": "GO:0006235", + "label": "BiologicalProcess", + "name": "dTTP biosynthetic process" + }, + { + "id": "GO:0006231", + "label": "BiologicalProcess", + "name": "dTMP biosynthetic process" + }, + { + "id": "GO:0006260", + "label": "BiologicalProcess", + "name": "DNA replication" + }, + { + "id": "HP:0031377", + "label": "PhenotypicFeature", + "name": "Abnormal cell proliferation" + }, + { + "id": "MESH:D008113", + "label": "Disease", + "name": "Liver Neoplasms" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00322#mechanism-of-action", + "https://en.wikipedia.org/wiki/Floxuridine#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Fluorouracil#Mechanism_of_action" + ] + }, + { + "comments": "The MESH disease term (MESH:D002289) is known as Carcinoma, Non-Small-Cell Lung on the MESH website.", + "directed": true, + "graph": { + "_id": "DB00361_MESH_D002289_1", + "disease": "Non-small cell lung cancer", + "disease_mesh": "MESH:D002289", + "drug": "vinorelbine", + "drug_mesh": "MESH:C030852", + "drugbank": "DB:DB00361" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C030852", + "target": "InterPro:IPR000217" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR000217", + "target": "GO:0000086" + }, + { + "key": "positively correlated with", + "source": "GO:0000086", + "target": "GO:0051301" + }, + { + "key": "positively correlated with", + "source": "GO:0051301", + "target": "HP:0031377" + }, + { + "key": "positively correlated with", + "source": "HP:0031377", + "target": "MESH:D002289" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C030852", + "label": "Drug", + "name": "vinorelbine" + }, + { + "id": "InterPro:IPR000217", + "label": "GeneFamily", + "name": "Tubulin" + }, + { + "id": "GO:0000086", + "label": "BiologicalProcess", + "name": "G2/M transition of mitotic cell cycle" + }, + { + "id": "GO:0051301", + "label": "BiologicalProcess", + "name": "cell division" + }, + { + "id": "HP:0031377", + "label": "PhenotypicFeature", + "name": "Abnormal cell proliferation" + }, + { + "id": "MESH:D002289", + "label": "Disease", + "name": "Non-small cell lung cancer" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL553025/", + "https://go.drugbank.com/drugs/DB00361#mechanism-of-action", + "https://en.wikipedia.org/wiki/Vinorelbine#Pharmacology" + ] + }, + { + "comments": "Term MESH:D011537 is also known as pruritus.", + "directed": true, + "graph": { + "_id": "DB03255_MESH_D011537_1", + "disease": "Itching of skin", + "disease_mesh": "MESH:D011537", + "drug": "phenol", + "drug_mesh": "MESH:D019800", + "drugbank": "DB:DB03255" + }, + "links": [ + { + "key": "subclass of", + "source": "MESH:D019800", + "target": "MESH:D000982" + }, + { + "key": "subclass of", + "source": "MESH:D019800", + "target": "MESH:D000890" + }, + { + "key": "ameliorates", + "source": "MESH:D000982", + "target": "MESH:D011537" + }, + { + "key": "ameliorates", + "source": "MESH:D000890", + "target": "MESH:D011537" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D019800", + "label": "Drug", + "name": "phenol" + }, + { + "id": "MESH:D000982", + "label": "ChemicalSubstance", + "name": "Antipruritics" + }, + { + "id": "MESH:D000890", + "label": "ChemicalSubstance", + "name": "Anti-Infective Agents" + }, + { + "id": "MESH:D011537", + "label": "Disease", + "name": "Itching of skin" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB03255#indication", + "https://www.genome.jp/dbget-bin/www_bget?drug:D00033", + "https://pubchem.ncbi.nlm.nih.gov/compound/996#section=Pharmacology" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00112_MESH_D005909_1", + "disease": "Glioblastoma multiforme", + "disease_mesh": "MESH:D005909", + "drug": "Bevacizumab", + "drug_mesh": "MESH:D000068258", + "drugbank": "DB:DB00112" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D000068258", + "target": "UniProt:P15692" + }, + { + "key": "participates in", + "source": "UniProt:P15692", + "target": "reactome:R-HSA-194138" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-194138", + "target": "MESH:D005909" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068258", + "label": "Drug", + "name": "Bevacizumab" + }, + { + "id": "UniProt:P15692", + "label": "Protein", + "name": "Vascular endothelial growth factor A" + }, + { + "id": "reactome:R-HSA-194138", + "label": "Pathway", + "name": "Signaling by Vascular Epithelial Growth Factors (VEGF)" + }, + { + "id": "MESH:D005909", + "label": "Disease", + "name": "Glioblastoma multiforme" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00112", + "https://en.wikipedia.org/wiki/Glioblastoma" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00424_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MESH:D010437", + "drug": "Hyoscyamine", + "drug_mesh": "MESH:D064692", + "drugbank": "DB:DB00424" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D064692", + "target": "UniProt:P20309" + }, + { + "key": "decreases activity of", + "source": "MESH:D064692", + "target": "UniProt:P11229" + }, + { + "key": "participates in", + "source": "UniProt:P20309", + "target": "GO:0001699" + }, + { + "key": "participates in", + "source": "UniProt:P11229", + "target": "GO:0001699" + }, + { + "key": "increases abundance of", + "source": "GO:0001699", + "target": "MESH:D005744" + }, + { + "key": "positively regulates", + "source": "MESH:D005744", + "target": "InterPro:IPR034162" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR034162", + "target": "MESH:D010437" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D064692", + "label": "Drug", + "name": "Hyoscyamine" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "UniProt:P20309", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M3" + }, + { + "id": "GO:0001699", + "label": "BiologicalProcess", + "name": "Acetylcholine-induced gastric acid secretion" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric acid" + }, + { + "id": "InterPro:IPR034162", + "label": "GeneFamily", + "name": "Pepsin catalytic domain" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00424" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00424_MESH_D053159_1", + "disease": "Dysuria", + "disease_mesh": "MESH:D053159", + "drug": "Hyoscyamine", + "drug_mesh": "MESH:D064692", + "drugbank": "DB:DB00424" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D064692", + "target": "UniProt:P20309" + }, + { + "key": "positively correlated with", + "source": "UniProt:P20309", + "target": "CHEBI:15355" + }, + { + "key": "positively regulates", + "source": "CHEBI:15355", + "target": "UBERON:0000381" + }, + { + "key": "positively regulates", + "source": "UBERON:0000381", + "target": "GO:0060073" + }, + { + "key": "manifestation of", + "source": "GO:0060073", + "target": "MESH:D053159" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D064692", + "label": "Drug", + "name": "Hyoscyamine" + }, + { + "id": "UniProt:P20309", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M3" + }, + { + "id": "CHEBI:15355", + "label": "ChemicalSubstance", + "name": "Acetylcholine" + }, + { + "id": "UBERON:0000381", + "label": "GrossAnatomicalStructure", + "name": "Urinary bladder detrusor smooth muscle" + }, + { + "id": "GO:0060073", + "label": "BiologicalProcess", + "name": "Micturition" + }, + { + "id": "MESH:D053159", + "label": "Disease", + "name": "MESH:D053159" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Dysuria", + "https://go.drugbank.com/drugs/DB00424", + "https://en.wikipedia.org/wiki/Muscarinic_acetylcholine_receptor" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00424_MESH_D012798_1", + "disease": "Excessive salivation", + "disease_mesh": "MESH:D012798", + "drug": "Hyoscyamine", + "drug_mesh": "MESH:D064692", + "drugbank": "DB:DB00424" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D064692", + "target": "UniProt:P20309" + }, + { + "key": "decreases activity of", + "source": "MESH:D064692", + "target": "UniProt:P11229" + }, + { + "key": "positively regulates", + "source": "UniProt:P20309", + "target": "UBERON:0001044" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "UBERON:0001044" + }, + { + "key": "positively regulates", + "source": "UBERON:0001044", + "target": "GO:0046541" + }, + { + "key": "positively correlated with", + "source": "GO:0046541", + "target": "MESH:D012798" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D064692", + "label": "Drug", + "name": "Hyoscyamine" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "UniProt:P20309", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M3" + }, + { + "id": "UBERON:0001044", + "label": "GrossAnatomicalStructure", + "name": "Saliva-secreting gland" + }, + { + "id": "GO:0046541", + "label": "BiologicalProcess", + "name": "Saliva secretion" + }, + { + "id": "MESH:D012798", + "label": "Disease", + "name": "Excessive salivation" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00424", + "https://en.wikipedia.org/wiki/Muscarinic_acetylcholine_receptor#Receptor_isoforms" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00485_MESH_D011023_1", + "disease": "Staphylococcal pneumonia", + "disease_mesh": "MESH:D011023", + "drug": "Dicloxacillin", + "drug_mesh": "MESH:D004009", + "drugbank": "DB:DB00485" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004009", + "target": "InterPro:IPR001460" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001460", + "target": "GO:0018104" + }, + { + "key": "positively regulates", + "source": "GO:0018104", + "target": "GO:0009273" + }, + { + "key": "has output", + "source": "GO:0009273", + "target": "GO:0005618" + }, + { + "key": "occurs in", + "source": "GO:0005618", + "target": "taxonomy:1279" + }, + { + "key": "causes", + "source": "taxonomy:1279", + "target": "MESH:D011023" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004009", + "label": "Drug", + "name": "Dicloxacillin" + }, + { + "id": "InterPro:IPR001460", + "label": "GeneFamily", + "name": "Penicillin-binding protein, transpeptidase" + }, + { + "id": "GO:0018104", + "label": "BiologicalProcess", + "name": "Cross-linking of the peptidoglycan" + }, + { + "id": "GO:0009273", + "label": "BiologicalProcess", + "name": "Peptidoglycan-based cell wall biogenesis" + }, + { + "id": "GO:0005618", + "label": "CellularComponent", + "name": "Cell wall" + }, + { + "id": "taxonomy:1279", + "label": "OrganismTaxon", + "name": "Staphylococcus" + }, + { + "id": "MESH:D011023", + "label": "Disease", + "name": "Staphylococcal pneumonia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00485" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00485_MESH_D013203_1", + "disease": "Infection due to Staphylococcus aureus", + "disease_mesh": "MESH:D013203", + "drug": "Dicloxacillin", + "drug_mesh": "MESH:D004009", + "drugbank": "DB:DB00485" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004009", + "target": "InterPro:IPR001460" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001460", + "target": "GO:0018104" + }, + { + "key": "positively regulates", + "source": "GO:0018104", + "target": "GO:0009273" + }, + { + "key": "has output", + "source": "GO:0009273", + "target": "GO:0005618" + }, + { + "key": "occurs in", + "source": "GO:0005618", + "target": "taxonomy:1280" + }, + { + "key": "causes", + "source": "taxonomy:1280", + "target": "MESH:D013203" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004009", + "label": "Drug", + "name": "Dicloxacillin" + }, + { + "id": "InterPro:IPR001460", + "label": "GeneFamily", + "name": "Penicillin-binding protein, transpeptidase" + }, + { + "id": "GO:0018104", + "label": "BiologicalProcess", + "name": "Cross-linking of the peptidoglycan" + }, + { + "id": "GO:0009273", + "label": "BiologicalProcess", + "name": "Peptidoglycan-based cell wall biogenesis" + }, + { + "id": "GO:0005618", + "label": "CellularComponent", + "name": "Cell wall" + }, + { + "id": "taxonomy:1280", + "label": "OrganismTaxon", + "name": "Staphylococcus aureus" + }, + { + "id": "MESH:D013203", + "label": "Disease", + "name": "Infection due to Staphylococcus aureus" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00485" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00609_MESH_D014397_1", + "disease": "Pulmonary tuberculosis", + "disease_mesh": "MESH:D014397", + "drug": "Ethionamide", + "drug_mesh": "MESH:D005000", + "drugbank": "DB:DB00609" + }, + "links": [ + { + "key": "decreases activity of", + "source": 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No longer prescribed.", + "directed": true, + "graph": { + "_id": "DB00891_MESH_D003874_1", + "disease": "Dermatitis herpetiformis", + "disease_mesh": "MESH:D003874", + "drug": "Sulfapyridine", + "drug_mesh": "MESH:D013427", + "drugbank": "DB:DB00891" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D013427", + "target": "GO:0002553" + }, + { + "key": "negatively regulates", + "source": "MESH:D013427", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0002553", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MESH:D003874" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013427", + "label": "Drug", + "name": "Sulfapyridine" + }, + { + "id": "GO:0002553", + "label": "BiologicalProcess", + "name": "Histamine secretion by mast cell" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "Inflammatory response" + }, + { + "id": 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"target": "UniProt:P31644" + }, + { + "key": "positively regulates", + "source": "DB:DB01545", + "target": "UniProt:Q16445" + }, + { + "key": "positively regulates", + "source": "UniProt:Q16445", + "target": "GO:0007214" + }, + { + "key": "positively regulates", + "source": "UniProt:P14867", + "target": "GO:0007214" + }, + { + "key": "positively regulates", + "source": "UniProt:P47869", + "target": "GO:0007214" + }, + { + "key": "positively regulates", + "source": "UniProt:P34903", + "target": "GO:0007214" + }, + { + "key": "positively regulates", + "source": "UniProt:P48169", + "target": "GO:0007214" + }, + { + "key": "positively regulates", + "source": "UniProt:P31644", + "target": "GO:0007214" + }, + { + "key": "negatively correlated with", + "source": "GO:0007214", + "target": "HP:0000739" + }, + { + "key": "negatively correlated with", + "source": "GO:0007214", + "target": "HP:0000737" + }, + { + "key": "positively correlated with", + "source": "HP:0000739", + "target": "MESH:D003866" + }, + { + "key": "positively correlated with", + "source": "HP:0000737", + "target": "MESH:D003866" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB01545", + "label": "Drug", + "name": "Ethyl loflazepate" + }, + { + "id": "UniProt:P14867", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-1" + }, + { + "id": "UniProt:P47869", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-2" + }, + { + "id": "UniProt:P34903", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-3" + }, + { + "id": "UniProt:P48169", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-4" + }, + { + "id": "UniProt:P31644", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-5" + }, + { + "id": "UniProt:Q16445", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-6" + }, + { + "id": "GO:0007214", + "label": "BiologicalProcess", + "name": "Gamma-aminobutyric acid signaling pathway" + }, + { + "id": "HP:0000739", + "label": "PhenotypicFeature", + "name": "Anxiety" + }, + { + "id": "HP:0000737", + "label": "PhenotypicFeature", + "name": "Irritability" + }, + { + "id": "MESH:D003866", + "label": "Disease", + "name": "Depressive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01545", + "https://en.wikipedia.org/wiki/Gamma-Aminobutyric_acid" + ] + }, + { + "comment": "Withdrawn", + "directed": true, + "graph": { + "_id": "DB01545_MESH_D001007_1", + "disease": "Anxiety", + "disease_mesh": "MESH:D001007", + "drug": "ethyl loflazepate", + "drug_mesh": "MESH:C040581,MESH:C029617", + "drugbank": "DB:DB01545" + }, + "links": [ + { + "key": "positively regulates", + "source": "DB:DB01545", + "target": "UniProt:P14867" + }, + { + "key": "positively regulates", + "source": "DB:DB01545", + "target": "UniProt:P47869" + }, + { + "key": "positively regulates", + "source": "DB:DB01545", + "target": "UniProt:P34903" + }, + { + "key": "positively regulates", + "source": "DB:DB01545", + "target": "UniProt:P48169" + }, + { + "key": "positively regulates", + "source": "DB:DB01545", + "target": "UniProt:P31644" + }, + { + "key": "positively regulates", + "source": "DB:DB01545", + "target": "UniProt:Q16445" + }, + { + "key": "positively regulates", + "source": "UniProt:Q16445", + "target": "GO:0007214" + }, + { + "key": "positively regulates", + "source": "UniProt:P14867", + "target": "GO:0007214" + }, + { + "key": "positively regulates", + "source": "UniProt:P47869", + "target": "GO:0007214" + }, + { + "key": "positively regulates", + "source": "UniProt:P34903", + "target": "GO:0007214" + }, + { + "key": "positively regulates", + "source": "UniProt:P48169", + "target": "GO:0007214" + }, + { + "key": "positively regulates", + "source": "UniProt:P31644", + "target": "GO:0007214" + }, + { + "key": "negatively correlated with", + "source": "GO:0007214", + "target": "MESH:D001007" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB01545", + "label": "Drug", + "name": "Ethyl loflazepate" + }, + { + "id": "UniProt:P14867", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-1" + }, + { + "id": "UniProt:P47869", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-2" + }, + { + "id": "UniProt:P34903", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-3" + }, + { + "id": "UniProt:P48169", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-4" + }, + { + "id": "UniProt:P31644", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-5" + }, + { + "id": "UniProt:Q16445", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-6" + }, + { + "id": "GO:0007214", + "label": "BiologicalProcess", + "name": "Gamma-aminobutyric acid signaling pathway" + }, + { + "id": "MESH:D001007", + "label": "Disease", + "name": "Anxiety" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01545", + "https://en.wikipedia.org/wiki/Gamma-Aminobutyric_acid" + ] + }, + { + "comment": "Gluconolactone is used as a component of irrigation solution Renacidin for dissolution of bladder calculi of the struvite or apatite variety.", + "directed": true, + "graph": { + "_id": "DB04564_MESH_D001744_1", + "disease": "Urinary bladder stone", + "disease_mesh": "MESH:D001744", + "drug": "gluconolactone", + "drug_mesh": null, + "drugbank": "DB:DB04564" + }, + "links": [ + { + "key": "treats", + "source": "DB:DB04564", + "target": "MESH:D001744" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB04564", + "label": "Drug", + "name": "Gluconolactone" + }, + { + "id": "MESH:D001744", + "label": "Disease", + "name": "Urinary bladder stone" + } + ], + "reference": [ + "https://drugs.ncats.io/drug/WQ29KQ9POT" + ] + }, + { + "comment": "Withdrawn. Glibornuride is a sulfonylurea-type anti-diabetic drug.", + "directed": true, + "graph": { + "_id": "DB08962_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MESH:D003924", + "drug": "glibornuride", + "drug_mesh": "MESH:C073323", + "drugbank": "DB:DB08962" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C073323", + "target": "UniProt:Q14654" + }, + { + "key": "participates in", + "source": "UniProt:Q14654", + "target": "GO:0060081" + }, + { + "key": "negatively regulates", + "source": "GO:0060081", + "target": "GO:0070509" + }, + { + "key": "positively regulates", + "source": "GO:0070509", + "target": "GO:0030073" + }, + { + "key": "negatively correlated with", + "source": "GO:0030073", + "target": "HP:0003074" + }, + { + "key": "manifestation of", + "source": "HP:0003074", + "target": "MESH:D003924" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C073323", + "label": "Drug", + "name": "Glibornuride" + }, + { + "id": "UniProt:Q14654", + "label": "Protein", + "name": "ATP-sensitive inward rectifier potassium channel 11" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "Membrane hyperpolarization" + }, + { + "id": "GO:0070509", + "label": "BiologicalProcess", + "name": "Transmembrane calcium influx" + }, + { + "id": "GO:0030073", + "label": "BiologicalProcess", + "name": "Insulin secretion" + }, + { + "id": "HP:0003074", + "label": "PhenotypicFeature", + "name": "Hyperglycemia" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08962", + "https://en.wikipedia.org/wiki/Sulfonylurea" + ] + }, + { + "comment": "Drospirenone seems to have much lower affinity to androgen receptor than to the progesterone counterpart (https://en.wikipedia.org/wiki/Drospirenone#Pharmacology).", + "directed": true, + "graph": { + "_id": "DB01395_MESH_D000152_1", + "disease": "Acne vulgaris", + "disease_mesh": "MESH:D000152", + "drug": "drospirenone", + "drug_mesh": "MESH:C035144", + "drugbank": "DB:DB01395" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C035144", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0006702" + }, + { + "key": "positively regulates", + "source": "MESH:C035144", + "target": "UniProt:P06401" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P06401", + "target": "GO:0006702" + }, + { + "key": "increases abundance of", + "source": "GO:0006702", + "target": "UBERON:0001866" + }, + { + "key": "produced by", + "source": "UBERON:0001866", + "target": "HP:0025249" + }, + { + "key": "positively correlated with", + "source": "HP:0025249", + "target": "MESH:D000152" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C035144", + "label": "Drug", + "name": "drospirenone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0006702", + "label": "BiologicalProcess", + "name": "androgen biosynthetic process" + }, + { + "id": "UBERON:0001866", + "label": "GrossAnatomicalStructure", + "name": "sebum" + }, + { + "id": "HP:0025249", + "label": "PhenotypicFeature", + "name": "Comedo" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01395#mechanism-of-action" + ] + }, + { + "comment": "The use of progesterone, progestin and similar compounds may not be superior to placebo in reducing premenstrual symptoms judging from the results of the majority of controlled trials (https://pubmed.ncbi.nlm.nih.gov/7791258/). Also note that it is generally agreed that neither a deficiency nor excess in progesterone/progestin levels is etiologically relevant to the disorder (https://pubmed.ncbi.nlm.nih.gov/16650465/). It's largelly accepted that SSRIs as better treatment and should be the first attempt for treatment of premenstrual dysphoric disorder.", + "directed": true, + "graph": { + "_id": "DB01395_MESH_D065446_1", + "disease": "Premenstrual dysphoric disorder", + "disease_mesh": "MESH:D065446", + "drug": "drospirenone", + "drug_mesh": "MESH:C035144", + "drugbank": "DB:DB01395" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C035144", + "target": "UniProt:P08235" + }, + { + "key": "positively correlated with", + "source": "UniProt:P08235", + "target": "GO:0005890" + }, + { + "key": "positively correlated with", + "source": "UniProt:P08235", + "target": "InterPro:IPR001696" + }, + { + "key": "regulates", + "source": "GO:0005890", + "target": "GO:0070294" + }, + { + "key": "regulates", + "source": "GO:0005890", + "target": "GO:0036359" + }, + { + "key": "regulates", + "source": "InterPro:IPR001696", + "target": "GO:0070294" + }, + { + "key": "correlated with", + "source": "GO:0036359", + "target": "HP:0000969" + }, + { + "key": "correlated with", + "source": "GO:0070294", + "target": "HP:0000969" + }, + { + "key": "correlated with", + "source": "GO:0036359", + "target": "MESH:D059373" + }, + { + "key": "correlated with", + "source": "GO:0070294", + "target": "MESH:D059373" + }, + { + "key": "manifestation of", + "source": "MESH:D059373", + "target": "MESH:D065446" + }, + { + "key": "correlated with", + "source": "HP:0000969", + "target": "MESH:D065446" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C035144", + "label": "Drug", + "name": "drospirenone" + }, + { + "id": "UniProt:P08235", + "label": "Protein", + "name": "Mineralocorticoid receptor" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "GO:0005890", + "label": "CellularComponent", + "name": "sodium:potassium-exchanging ATPase complex" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "renal sodium ion absorption" + }, + { + "id": "GO:0036359", + "label": "BiologicalProcess", + "name": "renal potassium excretion" + }, + { + "id": "HP:0000969", + "label": "PhenotypicFeature", + "name": "Edema" + }, + { + "id": "MESH:D059373", + "label": "PhenotypicFeature", + "name": "Mastodynia" + }, + { + "id": "MESH:D065446", + "label": "Disease", + "name": "Premenstrual dysphoric disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01395#mechanism-of-action", + "https://en.wikipedia.org/wiki/Antimineralocorticoid#Mechanism_of_action", + "https://pubmed.ncbi.nlm.nih.gov/18472980/" + ] + }, + { + "comment": "The disease is denoted Menopausal flushing in the original file. Note that a combination therapy of estradiol and drospirenone would be more effective at reducing the frequency of hot flushes and other menopausal symptoms, than a mono-therapy relying on progestin only. Also, since many progestogens have off-target effects including estrogenic effects, the improvement in hot flashes maybe due to the drug binding to estrogen receptors instead. Note the term Vasomotor System (https://en.wikipedia.org/wiki/Vasomotor_center) does not seem to be represented in other ontologies.", + "directed": true, + "graph": { + "_id": "DB01395_MESH_D019584_1", + "disease": "Hot Flashes", + "disease_mesh": "MESH:D019584", + "drug": "drospirenone", + "drug_mesh": "MESH:C035144", + "drugbank": "DB:DB01395" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:C035144", + "target": "UniProt:P06401" + }, + { + "key": "decreases abundance of", + "source": "UniProt:P06401", + "target": "Pfam:PF00446" + }, + { + "key": "positively correlated with", + "source": "Pfam:PF00446", + "target": "MESH:D019584" + }, + { + "key": "correlated with", + "source": "UniProt:P06401", + "target": "MESH:D014666" + }, + { + "key": "positively regulates", + "source": "MESH:D014666", + "target": "GO:0001659" + }, + { + "key": "negatively correlated with", + "source": "GO:0001659", + "target": "HP:0005968" + }, + { + "key": "positively correlated with", + "source": "HP:0005968", + "target": "MESH:D019584" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C035144", + "label": "Drug", + "name": "drospirenone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "Pfam:PF00446", + "label": "GeneFamily", + "name": "Gonadotropin-releasing hormone" + }, + { + "id": "MESH:D014666", + "label": "GrossAnatomicalStructure", + "name": "Vasomotor System" + }, + { + "id": "GO:0001659", + "label": "BiologicalProcess", + "name": "temperature homeostasis" + }, + { + "id": "HP:0005968", + "label": "PhenotypicFeature", + "name": "Temperature instability" + }, + { + "id": "MESH:D019584", + "label": "Disease", + "name": "Hot Flashes" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01395#mechanism-of-action", + "https://en.wikipedia.org/wiki/Progestogen_(medication)#Pharmacodynamics", + "https://www.tandfonline.com/doi/full/10.1080/13697137.2018.1472567", + "https://journals.lww.com/co-endocrinology/Abstract/2015/12000/Progesterone_or_progestin_as_menopausal_ovarian.13.aspx" + ] + }, + { + "comment": "Note that the combination therapy of estradiol and drospirenone would be more effective at treating atrophic vaginitis, than a mono-therapy relying on progestin only. Also, since many progestogens have off-target effects including estrogenic effects, the improvement in hot flashes maybe due to the drug binding to estrogen receptors instead.", + "directed": true, + "graph": { + "_id": "DB01395_MESH_D059268_1", + "disease": "Atrophic vaginitis", + "disease_mesh": "MESH:D059268", + "drug": "drospirenone", + "drug_mesh": "MESH:C035144", + "drugbank": "DB:DB01395" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:C035144", + "target": "UniProt:P06401" + }, + { + "key": "participates in", + "source": "UniProt:P06401", + "target": "reactome:R-HSA-9018519" + }, + { + "key": "negatively correlated with", + "source": "reactome:R-HSA-9018519", + "target": "HP:0031088" + }, + { + "key": "negatively correlated with", + "source": "reactome:R-HSA-9018519", + "target": "HP:0030683" + }, + { + "key": "manifestation of", + "source": "HP:0030683", + "target": "MESH:D059268" + }, + { + "key": "manifestation of", + "source": "HP:0031088", + "target": "MESH:D059268" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C035144", + "label": "Drug", + "name": "drospirenone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "reactome:R-HSA-9018519", + "label": "Pathway", + "name": "Estrogen-dependent gene expression" + }, + { + "id": "HP:0030683", + "label": "PhenotypicFeature", + "name": "Vaginitis" + }, + { + "id": "HP:0031088", + "label": "PhenotypicFeature", + "name": "Vaginal dryness" + }, + { + "id": "MESH:D059268", + "label": "Disease", + "name": "Atrophic vaginitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01395#mechanism-of-action", + "https://en.wikipedia.org/wiki/Antimineralocorticoid#Mechanism_of_action", + "https://pubmed.ncbi.nlm.nih.gov/18472980/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00295_MESH_D003967_1", + "disease": "Diarrhea", + "disease_mesh": "MESH:D003967", + "drug": "morphine", + "drug_mesh": 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It's been suggested that disulfiram itself is unlikely responsible for the enzyme inactivation in vivo; several active metabolites of the drug, especially diethylthiomethylcarbamate, inhibits the enzyme in vitro (https://pubchem.ncbi.nlm.nih.gov/compound/3117#section=Mechanism-of-Action).", + "directed": true, + "graph": { + "_id": "DB00822_MESH_D000437_1", + "disease": "Alcoholism", + "disease_mesh": "MESH:D000437", + "drug": "disulfiram", + "drug_mesh": "MESH:D004221", + "drugbank": "DB:DB00822" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D004221", + "target": "UniProt:P05091" + }, + { + "key": "positively regulates", + "source": "UniProt:P05091", + "target": "GO:0006069" + }, + { + "key": "decreases abundance of", + "source": "GO:0006069", + "target": "CHEBI:15343" + }, + { + "key": "positively correlated with", + "source": "CHEBI:15343", + "target": "HP:0002017" + }, + { + "key": "positively correlated with", + "source": "CHEBI:15343", + "target": 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"BiologicalProcess", + "name": "neuronal action potential propagation" + }, + { + "id": "GO:0019226", + "label": "BiologicalProcess", + "name": "transmission of nerve impulse" + }, + { + "id": "HP:0002355", + "label": "PhenotypicFeature", + "name": "Difficulty walking" + }, + { + "id": "MESH:D009103", + "label": "Disease", + "name": "Multiple sclerosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06637", + "https://en.wikipedia.org/wiki/4-Aminopyridine#Multiple_sclerosis" + ] + }, + { + "comments": "The disease is denoted as Malignant tumor of testis in the original file as per DrugCentral.", + "directed": true, + "graph": { + "_id": "DB06810_MESH_D013736_1", + "disease": "Testicular Neoplasms", + "disease_mesh": "MESH:D013736", + "drug": "plicamycin", + "drug_mesh": "MESH:D008926", + "drugbank": "DB:DB06810" + }, + "links": [ + { + "key": "disrupts", + "source": "MESH:D008926", + "target": "GO:0000785" + }, + { + "key": "correlated with", + "source": "GO:0000785", + "target": "GO:0032774" + }, + { + "key": "positively correlated with", + "source": "GO:0032774", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "HP:0031377" + }, + { + "key": "positively correlated with", + "source": "HP:0031377", + "target": "MESH:D013736" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C066851" + ], + "id": "MESH:D008926", + "label": "Drug", + "name": "plicamycin" + }, + { + "id": "GO:0000785", + "label": "CellularComponent", + "name": "chromatin" + }, + { + "id": "GO:0032774", + "label": "BiologicalProcess", + "name": "RNA biosynthetic process" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "HP:0031377", + "label": "PhenotypicFeature", + "name": "Abnormal cell proliferation" + }, + { + "id": "MESH:D013736", + "label": "Disease", + "name": "Testicular Neoplasms" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06810", + "https://en.wikipedia.org/wiki/Plicamycin" + ] + }, + { + "comments": "The disease is denoted as Pityriasis versicolor in the original file as per DrugCentral.", + "directed": true, + "graph": { + "_id": "DB00239_MESH_D014010_1", + "disease": "Tinea Versicolor", + "disease_mesh": "MESH:D014010", + "drug": "oxiconazole", + "drug_mesh": "MESH:C022155", + "drugbank": "DB:DB00239" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C022155", + "target": "UniProt:P10613" + }, + { + "key": "positively regulates", + "source": "UniProt:P10613", + "target": "GO:0006696" + }, + { + "key": "produces", + "source": "GO:0006696", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "in taxon", + "source": "GO:0030445", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MESH:D014010" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C022155", + "label": "Drug", + "name": "oxiconazole" + }, + { + "id": "UniProt:P10613", + "label": "Protein", + "name": "Lanosterol 14-alpha demethylase" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D014010", + "label": "Disease", + "name": "Tinea Versicolor" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00239", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacology" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00239_MESH_D014008_1", + "disease": "Tinea pedis", + "disease_mesh": "MESH:D014008", + "drug": "oxiconazole", + "drug_mesh": "MESH:C022155", + "drugbank": "DB:DB00239" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C022155", + "target": "UniProt:P10613" + }, + { + "key": "positively regulates", + "source": "UniProt:P10613", + "target": "GO:0006696" + }, + { + "key": "produces", + "source": "GO:0006696", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "in taxon", + "source": "GO:0030445", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MESH:D014008" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C022155", + "label": "Drug", + "name": "oxiconazole" + }, + { + "id": "UniProt:P10613", + "label": "Protein", + "name": "Lanosterol 14-alpha demethylase" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D014008", + "label": "Disease", + "name": "Tinea pedis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00239", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacology" + ] + }, + { + "comment": "MESH:D003865 is denoted as Depressive Disorder, Major in the MESH website. Note that the drug may slighlty inhibit the reuptake of serotonin too.", + "directed": true, + "graph": { + "_id": "DB00234_MESH_D003865_1", + "disease": "Major depressive disorder", + "disease_mesh": "MESH:D003865", + "drug": "reboxetine", + "drug_mesh": "MESH:C074679", + "drugbank": "DB:DB00234" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C074679", + "target": "UniProt:P23975" + }, + { + "key": "positively regulates", + "source": "UniProt:P23975", + "target": "GO:0051620" + }, + { + "key": "positively correlated with", + "source": "GO:0051620", + "target": "MESH:D003865" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C074679", + "label": "Drug", + "name": "reboxetine" + }, + { + "id": "UniProt:P23975", + "label": "Protein", + "name": "Sodium-dependent noradrenaline transporter" + }, + { + "id": "GO:0051620", + "label": "BiologicalProcess", + "name": "norepinephrine uptake" + }, + { + "id": "MESH:D003865", + "label": "Disease", + "name": "Major depressive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00234", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL14370/" + ] + }, + { + "comments": "The disease is denoted as Lack or loss of sexual desire in the original file as per DrugCentral.", + "directed": true, + "graph": { + "_id": "DB04908_MESH_D020018_1", + "disease": "Sexual Dysfunctions, Psychological", + "disease_mesh": "MESH:D020018", + "drug": "flibanserin", + "drug_mesh": "MESH:C098107", + "drugbank": "DB:DB04908" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:C098107", + "target": "UniProt:P08908" + }, + { + "key": "positively regulates", + "source": "UniProt:P08908", + "target": "GO:0099155" + }, + { + "key": "positively regulates", + "source": "UniProt:P08908", + "target": "GO:0014046" + }, + { + "key": "increases abundance of", + "source": "GO:0014046", + "target": "CHEBI:18243" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:18243", + "target": "HP:0046504" + }, + { + "key": "negatively correlated with", + "source": "GO:0099155", + "target": "HP:0046504" + }, + { + "key": "negatively regulates", + "source": "MESH:C098107", + "target": "UniProt:P28223" + }, + { + "key": "positively regulates", + "source": "UniProt:P28223", + "target": "GO:0099153" + }, + { + "key": "positively correlated with", + "source": "GO:0099153", + "target": "HP:0046504" + }, + { + "key": "positively regulates", + "source": "UniProt:P08908", + "target": "GO:0014046" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:18243", + "target": "HP:0046504" + }, + { + "key": "manifestation of", + "source": "HP:0046504", + "target": "MESH:D020018" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C098107", + "label": "Drug", + "name": "flibanserin" + }, + { + "id": "UniProt:P08908", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 1A" + }, + { + "id": "UniProt:P28223", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 2A" + }, + { + "id": "GO:0014046", + "label": "BiologicalProcess", + "name": "dopamine secretion" + }, + { + "id": "CHEBI:18243", + "label": "ChemicalSubstance", + "name": "dopamine" + }, + { + "id": "GO:0099153", + "label": "BiologicalProcess", + "name": "synaptic transmission, serotonergic" + }, + { + "id": "GO:0099155", + "label": "BiologicalProcess", + "name": "synaptic transmission, noradrenergic" + }, + { + "id": "HP:0046504", + "label": "PhenotypicFeature", + "name": "Decreased libido" + }, + { + "id": "MESH:D020018", + "label": "Disease", + "name": "Sexual Dysfunctions, Psychological" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04908", + "https://en.wikipedia.org/wiki/Sexual_dysfunction#Females" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00036_MESH_D005168_1", + "disease": "Factor VII deficiency", + "disease_mesh": "MESH:D005168", + "drug": "eptacog alfa (activated)", + "drug_mesh": "MESH:C103587", + "drugbank": "DB:DB00036" + }, + "links": [ + { + "key": "chemically similar to", + "source": "MESH:C103587", + "target": "UniProt:P08709" + }, + { + "key": "increases activity of", + "source": "UniProt:P08709", + "target": "UniProt:P38435" + }, + { + "key": "increases activity of", + "source": "UniProt:P38435", + "target": "UniProt:P00742" + }, + { + "key": "participates in", + "source": "UniProt:P00742", + "target": "reactome:R-HSA-140834" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-140834", + "target": "GO:0070527" + }, + { + "key": "positively correlated with", + "source": "GO:0070527", + "target": "GO:0050817" + }, + { + "key": "prevents", + "source": "GO:0050817", + "target": "MESH:D005168" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C103587", + "label": "Drug", + "name": "eptacog alfa (activated)" + }, + { + "id": "UniProt:P08709", + "label": "Protein", + "name": "Coagulation factor VII" + }, + { + "id": "UniProt:P38435", + "label": "Protein", + "name": "Vitamin K-dependent gamma-carboxylase" + }, + { + "id": "UniProt:P00742", + "label": "Protein", + "name": "Coagulation factor X" + }, + { + "id": "reactome:R-HSA-140834", + "label": "Pathway", + "name": "Extrinsic Pathway of Fibrin Clot Formation" + }, + { + "id": "GO:0070527", + "label": "BiologicalProcess", + "name": "platelet aggregation" + }, + { + "id": "GO:0050817", + "label": "BiologicalProcess", + "name": "coagulation" + }, + { + "id": "MESH:D005168", + "label": "Disease", + "name": "Factor VII deficiency" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00036" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00036_MESH_D002836_1", + "disease": "Hereditary factor IX deficiency disease", + "disease_mesh": "MESH:D002836", + "drug": "eptacog alfa (activated)", + "drug_mesh": "MESH:C103587", + "drugbank": "DB:DB00036" + }, + "links": [ + { + "key": "chemically similar to", + "source": "MESH:C103587", + "target": "UniProt:P08709" + }, + { + "key": "increases activity of", + "source": "UniProt:P08709", + "target": "UniProt:P38435" + }, + { + "key": "increases activity of", + "source": "UniProt:P38435", + "target": "UniProt:P00742" + }, + { + "key": "participates in", + "source": "UniProt:P00742", + "target": "reactome:R-HSA-140834" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-140834", + "target": "GO:0070527" + }, + { + "key": "positively correlated with", + "source": "GO:0070527", + "target": "GO:0050817" + }, + { + "key": "prevents", + "source": "GO:0050817", + "target": "MESH:D002836" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C103587", + "label": "Drug", + "name": "eptacog alfa (activated)" + }, + { + "id": "UniProt:P08709", + "label": "Protein", + "name": "Coagulation factor VII" + }, + { + "id": "UniProt:P38435", + "label": "Protein", + "name": "Vitamin K-dependent gamma-carboxylase" + }, + { + "id": "UniProt:P00742", + "label": "Protein", + "name": "Coagulation factor X" + }, + { + "id": "reactome:R-HSA-140834", + "label": "Pathway", + "name": "Extrinsic Pathway of Fibrin Clot Formation" + }, + { + "id": "GO:0070527", + "label": "BiologicalProcess", + "name": "platelet aggregation" + }, + { + "id": "GO:0050817", + "label": "BiologicalProcess", + "name": "coagulation" + }, + { + "id": "MESH:D002836", + "label": "Disease", + "name": "Hereditary factor IX deficiency disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00036" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00036_MESH_D006467_1", + "disease": "Hereditary factor VIII deficiency disease", + "disease_mesh": "MESH:D006467", + "drug": "eptacog alfa (activated)", + "drug_mesh": "MESH:C103587", + "drugbank": "DB:DB00036" + }, + "links": [ + { + "key": "chemically similar to", + "source": "MESH:C103587", + "target": "UniProt:P08709" + }, + { + "key": "increases activity of", + "source": "UniProt:P08709", + "target": "UniProt:P38435" + }, + { + "key": "increases activity of", + "source": "UniProt:P38435", + "target": "UniProt:P00742" + }, + { + "key": "participates in", + "source": "UniProt:P00742", + "target": "reactome:R-HSA-140834" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-140834", + "target": "GO:0070527" + }, + { + "key": "positively correlated with", + "source": "GO:0070527", + "target": "GO:0050817" + }, + { + "key": "prevents", + "source": "GO:0050817", + "target": "MESH:D006467" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C103587", + "label": "Drug", + "name": "eptacog alfa (activated)" + }, + { + "id": "UniProt:P08709", + "label": "Protein", + "name": "Coagulation factor VII" + }, + { + "id": "UniProt:P38435", + "label": "Protein", + "name": "Vitamin K-dependent gamma-carboxylase" + }, + { + "id": "UniProt:P00742", + "label": "Protein", + "name": "Coagulation factor X" + }, + { + "id": "reactome:R-HSA-140834", + "label": "Pathway", + "name": "Extrinsic Pathway of Fibrin Clot Formation" + }, + { + "id": "GO:0070527", + "label": "BiologicalProcess", + "name": "platelet aggregation" + }, + { + "id": "GO:0050817", + "label": "BiologicalProcess", + "name": "coagulation" + }, + { + "id": "MESH:D006467", + "label": "Disease", + "name": "Hereditary factor VIII deficiency disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00036" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00036_MESH_D013915_1", + "disease": "Glanzmann's thrombasthenia", + "disease_mesh": "MESH:D013915", + "drug": "eptacog alfa (activated)", + "drug_mesh": "MESH:C103587", + "drugbank": "DB:DB00036" + }, + "links": [ + { + "key": "chemically similar to", + "source": "MESH:C103587", + "target": "UniProt:P08709" + }, + { + "key": "increases activity of", + "source": "UniProt:P08709", + "target": "UniProt:P38435" + }, + { + "key": "increases activity of", + "source": "UniProt:P38435", + "target": "UniProt:P00742" + }, + { + "key": "participates in", + "source": "UniProt:P00742", + "target": "reactome:R-HSA-140834" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-140834", + "target": "GO:0070527" + }, + { + "key": "negatively correlated with", + "source": "GO:0070527", + "target": "HP:0001975" + }, + { + "key": "prevents", + "source": "HP:0001975", + "target": "MESH:D013915" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C103587", + "label": "Drug", + "name": "eptacog alfa (activated)" + }, + { + "id": "UniProt:P08709", + "label": "Protein", + "name": "Coagulation factor VII" + }, + { + "id": "UniProt:P38435", + "label": "Protein", + "name": "Vitamin K-dependent gamma-carboxylase" + }, + { + "id": "UniProt:P00742", + "label": "Protein", + "name": "Coagulation factor X" + }, + { + "id": "reactome:R-HSA-140834", + "label": "Pathway", + "name": "Extrinsic Pathway of Fibrin Clot Formation" + }, + { + "id": "GO:0070527", + "label": "BiologicalProcess", + "name": "platelet aggregation" + }, + { + "id": "HP:0001975", + "label": "PhenotypicFeature", + "name": "Decreased platelet glycoprotein IIb-IIIa" + }, + { + "id": "MESH:D013915", + "label": "Disease", + "name": "Glanzmann's thrombasthenia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00036" + ] + }, + { + "comments": "Biogen and Abbvie announced a voluntary withdrawal of their product Zinbryta (daclizumab) from the global market on 2 March 2018. 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action of laquinimod on Relapsing remitting multiple sclerosis is not well understood. Available evidence suggests it as anti-inflammatory and neuroprotective agent based on in vivo experiments. The drug was withdrawn from phase III clinical trials", + "directed": true, + "graph": { + "_id": "DB06685_MESH_D020529_1", + "disease": "Relapsing remitting multiple sclerosis", + "disease_mesh": "MESH:D020529", + "drug": "laquinimod", + "drug_mesh": "MESH:C476223", + "drugbank": "DB:DB06685" + }, + "links": [ + { + "key": "chemically similar to", + "source": "MESH:C476223", + "target": "CHEBI:35472" + }, + { + "key": "chemically similar to", + "source": "MESH:C476223", + "target": "CHEBI:63726" + }, + { + "key": "treats", + "source": "CHEBI:35472", + "target": "MESH:D020529" + }, + { + "key": "treats", + "source": "CHEBI:63726", + "target": "MESH:D020529" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C476223", + "label": "Drug", + "name": "laquinimod" + }, + { + "id": "CHEBI:35472", + "label": "ChemicalSubstance", + "name": "anti-inflammatory drug" + }, + { + "id": "CHEBI:63726", + "label": "ChemicalSubstance", + "name": "neuroprotective agent" + }, + { + "id": 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Note that this drug may modulate UniProt:P19793 (see https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL53418/) but a path involving retinoid X receptor alpha to treat constipation does not seem feasible.", + "directed": true, + "graph": { + "_id": "DB04816_MESH_D003248_1", + "disease": "dantron", + "disease_mesh": "MESH:D003248", + "drug": "prucalopride", + "drug_mesh": "MESH:C004315", + "drugbank": "DB:DB04816" + }, + "links": [ + { + "key": "subclass of", + "source": "MESH:C004315", + "target": "CHEBI:50503" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:50503", + "target": "HP:0012423" + }, + { + "key": "manifestation of", + "source": "HP:0012423", + "target": "MESH:D003248" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C004315", + "label": "Drug", + "name": "dantron" + }, + { + "id": "CHEBI:50503", + "label": "ChemicalSubstance", + "name": "laxative" + }, + { + "id": "HP:0012423", + "label": "PhenotypicFeature", + "name": "Colonic inertia" 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available in the United States and has been discontinued. Withdrawn. The mechanism of action is unknown, but is thought to be via inhibition of oxygen uptake and disruption of yeast membrane structure and function.", + "directed": true, + "graph": { + "_id": "DB00793_MESH_D014008_1", + "disease": "Tinea pedis", + "disease_mesh": "MESH:D014008", + "drug": "haloprogin", + "drug_mesh": "MESH:C100276", + "drugbank": "DB:DB00793" + }, + "links": [ + { + "key": "disrupts", + "source": "MESH:C100276", + "target": "GO:0005886" + }, + { + "key": "in taxon", + "source": "GO:0005886", + "target": "taxonomy:4751" + }, + { + "key": "causes", + "source": "taxonomy:4751", + "target": "MESH:D014008" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C100276", + "label": "Drug", + "name": "Haloprogin" + }, + { + "id": "GO:0005886", + "label": "CellularComponent", + "name": "Plasma membrane" + }, + { + "id": "taxonomy:4751", + "label": "OrganismTaxon", + "name": "Fungi" + }, + { + "id": "MESH:D014008", + "label": "Disease", + "name": "Tinea pedis" + } + ], + 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"nodes": [ + { + "id": "MESH:D000068180", + "label": "Drug", + "name": "Aripiprazole" + }, + { + "id": "UniProt:P14416", + "label": "Protein", + "name": "D(2) dopamine receptor" + }, + { + "id": "UniProt:P28223", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 2A" + }, + { + "id": "UniProt:P08908", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 1A" + }, + { + "id": "MESH:D012701", + "label": "ChemicalSubstance", + "name": "Serotonin" + }, + { + "id": "MESH:D004298", + "label": "ChemicalSubstance", + "name": "Dopamine" + }, + { + "id": "HP:0000716", + "label": "PhenotypicFeature", + "name": "Depressivity" + }, + { + "id": "GO:0060096", + "label": "BiologicalProcess", + "name": "Serotonin secretion, neurotransmission" + }, + { + "id": "GO:0061527", + "label": "BiologicalProcess", + "name": "Dopamine secretion, neurotransmission" + }, + { + "id": "MESH:D001321", + "label": "Disease", + "name": "Infantile autism" + } + ], + "reference": [ + 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receptor" + }, + { + "id": "UniProt:P35372", + "label": "Protein", + "name": "Mu-type opioid receptor" + }, + { + "id": "reactome:R-HSA-418594", + "label": "Pathway", + "name": "G alpha (i) signalling events" + }, + { + "id": "UniProt:P20366", + "label": "Protein", + "name": "Protachykinin-1" + }, + { + "id": "GO:0061534", + "label": "BiologicalProcess", + "name": "gamma-aminobutyric acid secretion, neurotransmission" + }, + { + "id": "GO:0061527", + "label": "BiologicalProcess", + "name": "dopamine secretion, neurotransmission" + }, + { + "id": "GO:0014055", + "label": "BiologicalProcess", + "name": "acetylcholine secretion, neurotransmission" + }, + { + "id": "GO:0061533", + "label": "BiologicalProcess", + "name": "norepinephrine secretion, neurotransmission" + }, + { + "id": "GO:0098818", + "label": "BiologicalProcess", + "name": "hyperpolarization of postsynaptic membrane" + }, + { + "id": "MESH:D010146", + "label": "Disease", + "name": "Pain" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL607/", + "https://go.drugbank.com/drugs/DB00454#BE0000632", + "https://en.wikipedia.org/wiki/Pethidine#Mechanism_of_action", + "https://en.wikipedia.org/wiki/%CE%9A-opioid_receptor#Pain" + ] + }, + { + "comment": "Drug has been withdrawn in Europe due to increased risk of abuse or addiction, intoxication and events related to psychomotor impairment (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1233/).", + "directed": true, + "graph": { + "_id": "DB00395_MESH_D001416_1", + "disease": "Backache", + "disease_mesh": "MESH:D001416", + "drug": "carisoprodol", + "drug_mesh": "MESH:D002328", + "drugbank": "DB:DB00395" + }, + "links": [ + { + "key": "negatively correlated with", + "source": "MESH:D002328", + "target": "HP:0003552" + }, + { + "key": "negatively correlated with", + "source": "MESH:D002328", + "target": "HP:0003326" + }, + { + "key": "negatively correlated with", + "source": "MESH:D002328", + "target": "HP:0003394" + }, + { + "key": "located in", + "source": "HP:0003552", + "target": "UBERON:0004479" + }, + { + "key": "located in", + "source": "HP:0003326", + "target": "UBERON:0004479" + }, + { + "key": "located in", + "source": "HP:0003394", + "target": "UBERON:0004479" + }, + { + "key": "location of", + "source": "UBERON:0004479", + "target": "MESH:D001416" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002328", + "label": "Drug", + "name": "carisoprodol" + }, + { + "id": "HP:0003552", + "label": "PhenotypicFeature", + "name": "Muscle stiffness" + }, + { + "id": "HP:0003326", + "label": "PhenotypicFeature", + "name": "Myalgia" + }, + { + "id": "HP:0003394", + "label": "PhenotypicFeature", + "name": "Muscle spasm" + }, + { + "id": "UBERON:0004479", + "label": "GrossAnatomicalStructure", + "name": "musculature of trunk" + }, + { + "id": "MESH:D001416", + "label": "Disease", + "name": "Backache" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00395#mechanism-of-action" + ] + }, + { + "comment": "Drug has been withdrawn in Europe due to increased risk of abuse or addiction, intoxication and events related to psychomotor impairment (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1233/).", + "directed": true, + "graph": { + "_id": "DB00395_MESH_D009128_1", + "disease": "Spasticity", + "disease_mesh": "MESH:D009128", + "drug": "carisoprodol", + "drug_mesh": "MESH:D002328", + "drugbank": "DB:DB00395" + }, + "links": [ + { + "key": "negatively correlated with", + "source": "MESH:D002328", + "target": "HP:0001276" + }, + { + "key": "located in", + "source": "HP:0001276", + "target": "UBERON:0014892" + }, + { + "key": "location of", + "source": "UBERON:0014892", + "target": "MESH:D009128" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002328", + "label": "Drug", + "name": "carisoprodol" + }, + { + "id": "HP:0001276", + "label": "PhenotypicFeature", + "name": "Hypertonia" + }, + { + "id": "UBERON:0014892", + "label": "GrossAnatomicalStructure", + "name": "skeletal muscle organ" + }, + { + "id": "MESH:D009128", + "label": "Disease", + "name": "Spasticity" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00395#mechanism-of-action" + ] + }, + { + "comment": "Drug has been withdrawn in Europe due to increased risk of abuse or addiction, intoxication and events related to psychomotor impairment (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1233/).", + "directed": true, + "graph": { + "_id": "DB00004_MESH_D016410_1", + "disease": "Primary cutaneous T-cell lymphoma", + "disease_mesh": "MESH:D016410", + "drug": "denileukin diftitox", + "drug_mesh": "MESH:C078456", + "drugbank": "DB:DB00004" + }, + "links": [ + { + "key": "molecularly interacts with", + "source": "MESH:C078456", + "target": "UniProt:P01589" + }, + { + "key": "molecularly interacts with", + "source": "MESH:C078456", + "target": "UniProt:P14784" + }, + { + "key": "molecularly 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"label": "Protein", + "name": "Interleukin-2 receptor subunit alpha" + }, + { + "id": "UniProt:P14784", + "label": "Protein", + "name": "Interleukin-2 receptor subunit beta" + }, + { + "id": "UniProt:P31785", + "label": "Protein", + "name": "Cytokine receptor common subunit gamma" + }, + { + "id": "GO:0006898", + "label": "BiologicalProcess", + "name": "receptor-mediated endocytosis" + }, + { + "id": "GO:1901998", + "label": "BiologicalProcess", + "name": "toxin transport" + }, + { + "id": "MESH:D004167", + "label": "ChemicalSubstance", + "name": "Diphtheria Toxin" + }, + { + "id": "UniProt:P13639", + "label": "Protein", + "name": "Elongation factor 2" + }, + { + "id": "GO:0006414", + "label": "BiologicalProcess", + "name": "translational elongation" + }, + { + "id": "MESH:D016410", + "label": "Disease", + "name": "Primary cutaneous T-cell lymphoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00004#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201550/", + "https://en.wikipedia.org/wiki/Denileukin_diftitox", + "https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/103767s5144lbl.pdf" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00243_MESH_D000787_1", + "disease": "Angina pectoris", + "disease_mesh": "MESH:D000787", + "drug": "ranolazine", + "drug_mesh": "MESH:D000069458", + "drugbank": "DB:DB00243" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D000069458", + "target": "InterPro:IPR010526" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR010526", + "target": "GO:0060402" + }, + { + "key": "correlated with", + "source": "GO:0060402", + "target": "HP:0005162" + }, + { + "key": "positively correlated with", + "source": "HP:0005162", + "target": "MESH:D000787" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069458", + "label": "Drug", + "name": "ranolazine" + }, + { + "id": "InterPro:IPR010526", + "label": "GeneFamily", + "name": "Sodium ion transport-associated" + }, + { + "id": "GO:0060402", + "label": "BiologicalProcess", + "name": "calcium ion transport into cytosol" + }, + { + "id": "HP:0005162", + "label": "PhenotypicFeature", + "name": "Abnormal left ventricular function" + }, + { + "id": "MESH:D000787", + "label": "Disease", + "name": "Angina pectoris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00243#BE0004901", + "https://pubchem.ncbi.nlm.nih.gov/compound/56959#section=Mechanism-of-Action", + "https://pubmed.ncbi.nlm.nih.gov/26979079/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00948_MESH_D006069_1", + "disease": "Gonorrhea", + "disease_mesh": "MESH:D006069", + "drug": "mezlocillin", + "drug_mesh": "MESH:D008802", + "drugbank": "DB:DB00948" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D008802", + "target": "UniProt:O05131" + }, + { + "key": "positively regulates", + "source": "UniProt:O05131", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0009273" + }, + { + "key": "in taxon", + "source": "GO:0009273", + "target": "taxonomy:485" + }, + { + "key": "causes", + "source": "taxonomy:485", + "target": "MESH:D006069" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008802", + "label": "Drug", + "name": "mezlocillin" + }, + { + "id": "UniProt:O05131", + "label": "Protein", + "name": "Penicillin-binding protein 1A" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0009273", + "label": "BiologicalProcess", + "name": "peptidoglycan-based cell wall biogenesis" + }, + { + "id": "taxonomy:485", + "label": "OrganismTaxon", + "name": "Neisseria gonorrhoeae" + }, + { + "id": "MESH:D006069", + "label": "Disease", + "name": "Gonorrhea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00948" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00948_MESH_D011015_1", + "disease": "Aspiration pneumonia", + "disease_mesh": "MESH:D011015", + "drug": "mezlocillin", + "drug_mesh": "MESH:D008802", + "drugbank": "DB:DB00948" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D008802", + "target": "UniProt:Q04707" + }, + { + "key": "positively regulates", + "source": "UniProt:Q04707", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0009273" + }, + { + "key": "in taxon", + "source": "GO:0009273", + "target": "taxonomy:1313" + }, + { + "key": "causes", + "source": "taxonomy:1313", + "target": "MESH:D011015" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008802", + "label": "Drug", + "name": "mezlocillin" + }, + { + "id": "UniProt:Q04707", + "label": "Protein", + "name": "Penicillin-binding protein 1A" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0009273", + "label": "BiologicalProcess", + "name": "peptidoglycan-based cell wall biogenesis" + }, + { + "id": "taxonomy:1313", + "label": "OrganismTaxon", + "name": "Streptococcus pneumoniae" + }, + { + "id": "MESH:D011015", + "label": "Disease", + "name": "Aspiration pneumonia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00948" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00948_MESH_D016868_1", + "disease": "Bacterial infection due to Serratia", + "disease_mesh": "MESH:D016868", + "drug": "mezlocillin", + "drug_mesh": "MESH:D008802", + "drugbank": "DB:DB00948" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D008802", + "target": "Pfam:PF00905" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00905", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0009273" + }, + { + "key": "in taxon", + "source": "GO:0009273", + "target": "taxonomy:613" + }, + { + "key": "causes", + "source": "taxonomy:613", + "target": "MESH:D016868" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008802", + "label": "Drug", + "name": "mezlocillin" + }, + { + "id": "Pfam:PF00905", + "label": "GeneFamily", + "name": "Penicillin binding protein transpeptidase domain" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0009273", + "label": "BiologicalProcess", + "name": "peptidoglycan-based cell wall biogenesis" + }, + { + "id": "taxonomy:613", + "label": "OrganismTaxon", + "name": "Serratia sp." + }, + { + "id": "MESH:D016868", + "label": "Disease", + "name": "Bacterial infection due to Serratia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00948" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00948_MESH_D014552_1", + "disease": "Urinary tract infectious disease", + "disease_mesh": "MESH:D014552", + "drug": "mezlocillin", + "drug_mesh": "MESH:D008802", + "drugbank": "DB:DB00948" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D008802", + "target": "Pfam:PF00905" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00905", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0009273" + }, + { + "key": "in taxon", + "source": "GO:0009273", + "target": "taxonomy:562" + }, + { + "key": "causes", + "source": "taxonomy:562", + "target": "MESH:D014552" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008802", + "label": "Drug", + "name": "mezlocillin" + }, + { + "id": "Pfam:PF00905", + "label": "GeneFamily", + "name": "Penicillin binding protein transpeptidase domain" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0009273", + "label": "BiologicalProcess", + "name": "peptidoglycan-based cell wall biogenesis" + }, + { + "id": "taxonomy:562", + "label": "OrganismTaxon", + "name": "Escherichia coli" + }, + { + "id": "MESH:D014552", + "label": "Disease", + "name": "Urinary tract infectious disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00948" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01194_MESH_D009798_1", + "disease": "Ocular Hypertension", + "disease_mesh": "MESH:D009798", + "drug": "brinzolamide", + "drug_mesh": "MESH:C111827", + "drugbank": "DB:DB01194" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C111827", + "target": "UniProt:P00918" + }, + { + "key": "positively regulates", + "source": "UniProt:P00918", + "target": "GO:0015701" + }, + { + "key": "increases abundance of", + "source": "GO:0015701", + "target": "UBERON:0001796" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001796", + "target": "MESH:D009798" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C111827", + "label": "Drug", + "name": "brinzolamide" + }, + { + "id": "UniProt:P00918", + "label": "Protein", + "name": "Carbonic anhydrase 2" + }, + { + "id": "GO:0015701", + "label": "BiologicalProcess", + "name": "bicarbonate transport" + }, + { + "id": "UBERON:0001796", + "label": "GrossAnatomicalStructure", + "name": "aqueous humor of eyeball" + }, + { + "id": "MESH:D009798", + "label": "Disease", + "name": "Ocular Hypertension" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01194#mechanism-of-action", + "https://en.wikipedia.org/wiki/Brinzolamide", + "https://www.uniprot.org/uniprot/P00918#function", + "https://en.wikipedia.org/wiki/Ocular_hypertension" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01194_MESH_D005902_1", + "disease": "Glaucoma, Open-Angle", + "disease_mesh": "MESH:D005902", + "drug": "brinzolamide", + "drug_mesh": "MESH:C111827", + "drugbank": "DB:DB01194" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C111827", + "target": "UniProt:P00918" + }, + { + "key": "positively regulates", + "source": "UniProt:P00918", + "target": "GO:0015701" + }, + { + "key": "increases abundance of", + "source": "GO:0015701", + "target": "UBERON:0001796" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001796", + "target": "HP:0007906" + }, + { + "key": "manifestation of", + "source": "HP:0007906", + "target": "MESH:D005902" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C111827", + "label": "Drug", + "name": "brinzolamide" + }, + { + "id": "UniProt:P00918", + "label": "Protein", + "name": "Carbonic anhydrase 2" + }, + { + "id": "GO:0015701", + "label": "BiologicalProcess", + "name": "bicarbonate transport" + }, + { + "id": "UBERON:0001796", + "label": "GrossAnatomicalStructure", + "name": "aqueous humor of eyeball" + }, + { + "id": "HP:0007906", + "label": "PhenotypicFeature", + "name": "Ocular hypertension" + }, + { + "id": "MESH:D005902", + "label": "Disease", + "name": "Glaucoma, Open-Angle" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01194#mechanism-of-action", + "https://en.wikipedia.org/wiki/Brinzolamide", + "https://www.uniprot.org/uniprot/P00918#function", + "https://en.wikipedia.org/wiki/Ocular_hypertension", + "https://en.wikipedia.org/wiki/Glaucoma" + ] + }, + { + "comment": "The disease is known as Chagas Disease in MESH (MESH:D014355). The drug is metabolized by nitoreductases (https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213464s000lbl.pdf) rather than nitoreductases being the target of this drug (https://go.drugbank.com/drugs/DB11820#BE0010011).", + "directed": true, + "graph": { + "_id": "DB11820_MESH_D014355_1", + "disease": "Infection by Trypanosoma cruzi", + "disease_mesh": "MESH:D014355", + "drug": "nifurtimox", + "drug_mesh": "MESH:D009547", + "drugbank": "DB:DB11820" + }, + "links": [ + { + "key": "produces", + "source": "MESH:D009547", + "target": "CHEBI:26523" + }, + { + "key": "disrupts", + "source": "CHEBI:26523", + "target": "CHEBI:16991" + }, + { + "key": "in taxon", + "source": "CHEBI:16991", + "target": "taxonomy:5693" + }, + { + "key": "causes", + "source": "taxonomy:5693", + "target": "MESH:D014355" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009547", + "label": "Drug", + "name": "nifurtimox" + }, + { + "id": "CHEBI:26523", + "label": "ChemicalSubstance", + "name": "reactive oxygen species" + }, + { + "id": "CHEBI:16991", + "label": "ChemicalSubstance", + "name": "deoxyribonucleic acid" + }, + { + "id": "taxonomy:5693", + "label": "OrganismTaxon", + "name": "Trypanosoma cruzi" + }, + { + "id": "MESH:D014355", + "label": "Disease", + "name": "Infection by Trypanosoma cruzi" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Nifurtimox#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL290960/" + ] + }, + { + "comment": "Withdrawn from the market in many countries. Never been marketed in the US.", + "directed": true, + "graph": { + "_id": "DB04830_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MESH:D003924", + "drug": "buformin", + "drug_mesh": "MESH:D002026", + "drugbank": "DB:DB04830" + }, + "links": [ + { + "key": "negatively correlated with", + "source": "MESH:D002026", + "target": "GO:0001951" + }, + { + "key": "negatively correlated with", + "source": "MESH:D002026", + "target": "GO:0006094" + }, + { + "key": "negatively correlated with", + "source": "MESH:D002026", + "target": "HP:0008189" + }, + { + "key": "increases activity of", + "source": "MESH:D002026", + "target": "GO:0046323" + }, + { + "key": "positively correlated with", + "source": "GO:0001951", + "target": "HP:0003074" + }, + { + "key": "positively correlated with", + "source": "GO:0006094", + "target": "HP:0003074" + }, + { + "key": "positively correlated with", + "source": "HP:0008189", + "target": "HP:0003074" + }, + { + "key": "negatively correlated with", + "source": "GO:0046323", + "target": "HP:0003074" + }, + { + "key": "manifestation of", + "source": "HP:0003074", + "target": "MESH:D003924" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002026", + "label": "Drug", + "name": "buformin" + }, + { + "id": "GO:0001951", + "label": "BiologicalProcess", + "name": "intestinal D-glucose absorption" + }, + { + "id": "HP:0008189", + "label": "PhenotypicFeature", + "name": "Insulin insensitivity" + }, + { + "id": "GO:0046323", + "label": "BiologicalProcess", + "name": "glucose import" + }, + { + "id": "GO:0006094", + "label": "BiologicalProcess", + "name": "gluconeogenesis" + }, + { + "id": "HP:0003074", + "label": "PhenotypicFeature", + "name": "Hyperglycemia" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Buformin#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00973_MESH_C537345_1", + "disease": "Sitosterolemia", + "disease_mesh": "MESH:C537345", + "drug": "ezetimibe", + "drug_mesh": "MESH:D000069438", + "drugbank": "DB:DB00973" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000069438", + "target": "UniProt:Q9UHC9" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9UHC9", + "target": "GO:0098856" + }, + { + "key": "increases abundance of", + "source": "GO:0098856", + "target": "CHEBI:26125" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26125", + "target": "HP:0033341" + }, + { + "key": "manifestation of", + "source": "HP:0033341", + "target": "MESH:C537345" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069438", + "label": "Drug", + "name": "ezetimibe" + }, + { + "id": "UniProt:Q9UHC9", + "label": "Protein", + "name": "NPC1-like intracellular cholesterol transporter 1" + }, + { + "id": "GO:0098856", + "label": "BiologicalProcess", + "name": "intestinal lipid absorption" + }, + { + "id": "CHEBI:26125", + "label": "ChemicalSubstance", + "name": "phytosterols" + }, + { + "id": "HP:0033341", + "label": "PhenotypicFeature", + "name": "Elevated circulating sitosterol concentration" + }, + { + "id": "MESH:C537345", + "label": "Disease", + "name": "Sitosterolemia" + } + ], + "reference": [ + "https://pharos.nih.gov/ligands/ezetimibe", + "https://pubchem.ncbi.nlm.nih.gov/compound/150311#section=Mechanism-of-Action", + "https://en.wikipedia.org/wiki/Sitosterolemia#Signs_and_symptoms" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00973_MESH_D006949_1", + "disease": "Hyperlipidemia", + "disease_mesh": "MESH:D006949", + "drug": "ezetimibe", + "drug_mesh": "MESH:D000069438", + "drugbank": "DB:DB00973" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000069438", + "target": "UniProt:Q9UHC9" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9UHC9", + "target": "GO:0098856" + }, + { + "key": "increases abundance of", + "source": "GO:0098856", + "target": "CHEBI:18059" + }, + { + "key": "positively correlated with", + "source": "CHEBI:18059", + "target": "MESH:D006949" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069438", + "label": "Drug", + "name": "ezetimibe" + }, + { + "id": "UniProt:Q9UHC9", + "label": "Protein", + "name": "NPC1-like intracellular cholesterol transporter 1" + }, + { + "id": "GO:0098856", + "label": "BiologicalProcess", + "name": "intestinal lipid absorption" + }, + { + "id": "CHEBI:18059", + "label": "ChemicalSubstance", + "name": "lipid" + }, + { + "id": "MESH:D006949", + "label": "Disease", + "name": "Hyperlipidemia" + } + ], + "reference": [ + "https://pharos.nih.gov/ligands/ezetimibe", + "https://pubchem.ncbi.nlm.nih.gov/compound/150311#section=Mechanism-of-Action" + ] + }, + { + "comments": "MESH:D006950 is known as Hyperlipidemia, Familial Combined in MESH.", + "directed": true, + "graph": { + "_id": "DB00973_MESH_D006950_1", + "disease": "Mixed hyperlipidemia", + "disease_mesh": "MESH:D006950", + "drug": "ezetimibe", + "drug_mesh": "MESH:D000069438", + "drugbank": "DB:DB00973" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000069438", + "target": "UniProt:Q9UHC9" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9UHC9", + "target": "GO:0098856" + }, + { + "key": "increases abundance of", + "source": "GO:0098856", + "target": "CHEBI:16113" + }, + { + "key": "increases abundance of", + "source": "GO:0098856", + "target": "CHEBI:17855" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17855", + "target": "MESH:D006950" + }, + { + "key": "positively correlated with", + "source": "CHEBI:16113", + "target": "MESH:D006950" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069438", + "label": "Drug", + "name": "ezetimibe" + }, + { + "id": "UniProt:Q9UHC9", + "label": "Protein", + "name": "NPC1-like intracellular cholesterol transporter 1" + }, + { + "id": "GO:0098856", + "label": "BiologicalProcess", + "name": "intestinal lipid absorption" + }, + { + "id": "CHEBI:16113", + "label": "ChemicalSubstance", + "name": "cholesterol" + }, + { + "id": "CHEBI:17855", + "label": "ChemicalSubstance", + "name": "triglyceride" + }, + { + "id": "MESH:D006950", + "label": "Disease", + "name": "Mixed hyperlipidemia" + } + ], + "reference": [ + "https://pharos.nih.gov/ligands/ezetimibe", + "https://pubchem.ncbi.nlm.nih.gov/compound/150311#section=Mechanism-of-Action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00973_MESH_D006937_1", + "disease": "Hypercholesterolemia", + "disease_mesh": "MESH:D006937", + "drug": "ezetimibe", + "drug_mesh": "MESH:D000069438", + "drugbank": "DB:DB00973" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000069438", + "target": "UniProt:Q9UHC9" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9UHC9", + "target": "GO:0098856" + }, + { + "key": "increases abundance of", + "source": "GO:0098856", + "target": "CHEBI:16113" + }, + { + "key": "positively correlated with", + "source": "CHEBI:16113", + "target": "MESH:D006937" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069438", + "label": "Drug", + "name": "ezetimibe" + }, + { + "id": "UniProt:Q9UHC9", + "label": "Protein", + "name": "NPC1-like intracellular cholesterol transporter 1" + }, + { + "id": "GO:0098856", + "label": "BiologicalProcess", + "name": "intestinal lipid absorption" + }, + { + "id": "CHEBI:16113", + "label": "ChemicalSubstance", + "name": "cholesterol" + }, + { + "id": "MESH:D006937", + "label": "Disease", + "name": "Hypercholesterolemia" + } + ], + "reference": [ + "https://pharos.nih.gov/ligands/ezetimibe", + "https://pubchem.ncbi.nlm.nih.gov/compound/150311#section=Mechanism-of-Action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00973_MESH_D001007_1", + "disease": "Anxiety", + "disease_mesh": "MESH:D001007", + "drug": "chlordiazepoxide", + "drug_mesh": "MESH:D002707", + "drugbank": "DB:DB00973" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D002707", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "positively correlated with", + "source": "GO:0022851", + "target": "GO:0060081" + }, + { + "key": "negatively correlated with", + "source": "GO:0060081", + "target": "GO:0007269" + }, + { + "key": "positively correlated with", + "source": "GO:0007269", + "target": "MESH:D001007" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002707", + "label": "Drug", + "name": "chlordiazepoxide" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "GO:0022851", + "label": "BiologicalProcess", + "name": "GABA-gated chloride ion channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0007269", + "label": "BiologicalProcess", + "name": "neurotransmitter secretion" + }, + { + "id": "MESH:D001007", + "label": "Disease", + "name": "Anxiety" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00475" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00973_MESH_D000430_1", + "disease": "Alcohol withdrawal delirium", + "disease_mesh": "MESH:D000430", + "drug": "chlordiazepoxide", + "drug_mesh": "MESH:D002707", + "drugbank": "DB:DB00973" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D002707", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "positively correlated with", + "source": "GO:0022851", + "target": "GO:0060081" + }, + { + "key": "negatively correlated with", + "source": "GO:0060081", + "target": "GO:0007269" + }, + { + "key": "positively correlated with", + "source": "GO:0007269", + "target": "HP:0000738" + }, + { + "key": "positively correlated with", + "source": "GO:0007269", + "target": "HP:0001337" + }, + { + "key": "positively correlated with", + "source": "GO:0007269", + "target": "HP:0000746" + }, + { + "key": "positively correlated with", + "source": "GO:0007269", + "target": "HP:0001289" + }, + { + "key": "manifestation of", + "source": "HP:0001289", + "target": "MESH:D000430" + }, + { + "key": "manifestation of", + "source": "HP:0000746", + "target": "MESH:D000430" + }, + { + "key": "manifestation of", + "source": "HP:0001337", + "target": "MESH:D000430" + }, + { + "key": "manifestation of", + "source": "HP:0000738", + "target": "MESH:D000430" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002707", + "label": "Drug", + "name": "chlordiazepoxide" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "GO:0022851", + "label": "BiologicalProcess", + "name": "GABA-gated chloride ion channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0007269", + "label": "BiologicalProcess", + "name": "neurotransmitter secretion" + }, + { + "id": "HP:0001289", + "label": "PhenotypicFeature", + "name": "Confusion" + }, + { + "id": "HP:0000746", + "label": "PhenotypicFeature", + "name": "Delusions" + }, + { + "id": "HP:0001337", + "label": "PhenotypicFeature", + "name": "Tremor" + }, + { + "id": "HP:0000738", + "label": "PhenotypicFeature", + "name": "Hallucinations" + }, + { + "id": "MESH:D000430", + "label": "Disease", + "name": "Alcohol withdrawal delirium" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00475" + ] + }, + { + "comments": "The drug can be useful for cases where the cause of peptic ulcer is due to emotional/somatic factors. Also if used in combination with clinidium (DB:DB00771, brand name Librax), it will inhibit acid secretion (antisecretory effect) and will be beneficial for treating ulcers (https://go.drugbank.com/unearth/q?utf8=%E2%9C%93&searcher=drugs&query=Librax).", + "directed": true, + "graph": { + "_id": "DB00973_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MESH:D010437", + "drug": "chlordiazepoxide", + "drug_mesh": "MESH:D002707", + "drugbank": "DB:DB00973" + }, + "links": [ + { + "key": "negatively correlated with", + "source": "MESH:D002707", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MESH:D010437" + }, + { + "key": "increases activity of", + "source": "MESH:D002707", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "positively correlated with", + "source": "GO:0022851", + "target": "GO:0060081" + }, + { + "key": "negatively correlated with", + "source": "GO:0060081", + "target": "GO:0007269" + }, + { + "key": "positively correlated with", + "source": "GO:0007269", + "target": "HP:0100852" + }, + { + "key": "affects risk for", + "source": "HP:0100852", + "target": "MESH:D010437" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002707", + "label": "Drug", + "name": "chlordiazepoxide" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "GO:0022851", + "label": "BiologicalProcess", + "name": "GABA-gated chloride ion channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0007269", + "label": "BiologicalProcess", + "name": "neurotransmitter secretion" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "HP:0100852", + "label": "PhenotypicFeature", + "name": "Abnormal fear/anxiety-related behavior" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00475", + "https://en.wikipedia.org/wiki/Chlordiazepoxide/clidinium_bromide" + ] + }, + { + "comments": "The drug when in combination with clinidium (DB:DB00771, brand name Librax, https://go.drugbank.com/unearth/q?utf8=%E2%9C%93&searcher=drugs&query=Librax) helps to relieve stomach spasms and abdominal cramps, some of the symptoms of irritable bowel syndrome. Clinidium (an anticholinergic agent) is the compound that ameliorates these symptoms.", + "directed": true, + "graph": { + "_id": "DB00973_MESH_D043183_1", + "disease": "Irritable bowel syndrome", + "disease_mesh": "MESH:D043183", + "drug": "chlordiazepoxide", + "drug_mesh": "MESH:D002707", + "drugbank": "DB:DB00973" + }, + "links": [ + { + "key": "negatively correlated with", + "source": "MESH:D002707", + "target": "HP:0003394" + }, + { + "key": "positively correlated with", + "source": "HP:0003394", + "target": "HP:0032155" + }, + { + "key": "correlated with", + "source": "HP:0032155", + "target": "HP:0002579" + }, + { + "key": "manifestation of", + "source": "HP:0002579", + "target": "MESH:D043183" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002707", + "label": "Drug", + "name": "chlordiazepoxide" + }, + { + "id": "HP:0003394", + "label": "PhenotypicFeature", + "name": "Muscle spasm" + }, + { + "id": "HP:0032155", + "label": "PhenotypicFeature", + "name": "Abdominal cramps" + }, + { + "id": "HP:0002579", + "label": "PhenotypicFeature", + "name": "Gastrointestinal dysmotility" + }, + { + "id": "MESH:D043183", + "label": "Disease", + "name": "Irritable bowel syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00475", + "https://en.wikipedia.org/wiki/Chlordiazepoxide/clidinium_bromide" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00722_MESH_D009203_1", + "disease": "Myocardial infarction", + "disease_mesh": "MESH:D009203", + "drug": "lisinopril", + "drug_mesh": "MESH:D017706", + "drugbank": "DB:DB00722" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D017706", + "target": "UniProt:P12821" + }, + { + "key": "positively regulates", + "source": "UniProt:P12821", + "target": "GO:0002003" + }, + { + "key": "decreases abundance of", + "source": "UniProt:P12821", + "target": "CHEBI:3165" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:3165", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0002003", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0032263" + }, + { + "key": "affects risk for", + "source": "HP:0032263", + "target": "MESH:D009203" + }, + { + "key": "affects risk for", + "source": "GO:0042310", + "target": "HP:0033401" + }, + { + "key": "located in", + "source": "HP:0033401", + "target": "UBERON:0000948" + }, + { + "key": "location of", + "source": "UBERON:0000948", + "target": "MESH:D009203" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D017706", + "label": "Drug", + "name": "lisinopril" + }, + { + "id": "UniProt:P12821", + "label": "Protein", + "name": "Angiotensin-converting enzyme" + }, + { + "id": "CHEBI:3165", + "label": "ChemicalSubstance", + "name": "bradykinin" + }, + { + "id": "GO:0002003", + "label": "BiologicalProcess", + "name": "angiotensin maturation" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0032263", + "label": "PhenotypicFeature", + "name": "Increased blood pressure" + }, + { + "id": "HP:0033401", + "label": "PhenotypicFeature", + "name": "Tissue ischemia" + }, + { + "id": "UBERON:0000948", + "label": "GrossAnatomicalStructure", + "name": "heart" + }, + { + "id": "MESH:D009203", + "label": "Disease", + "name": "Myocardial infarction" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00722#BE0000221", + "https://en.wikipedia.org/wiki/Coronary_artery_disease#Pathophysiology" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00722_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MESH:D006973", + "drug": "lisinopril", + "drug_mesh": "MESH:D017706", + "drugbank": "DB:DB00722" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D017706", + "target": "UniProt:P12821" + }, + { + "key": "positively regulates", + "source": "UniProt:P12821", + 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"https://go.drugbank.com/drugs/DB00213#BE0000349", + "https://en.wikipedia.org/wiki/Zollinger%E2%80%93Ellison_syndrome" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00213_MESH_D009377_1", + "disease": "Multiple endocrine adenomas", + "disease_mesh": "MESH:D009377", + "drug": "Pantoprazole", + "drug_mesh": "MESH:C064276", + "drugbank": "DB:DB00213" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C064276", + "target": "UniProt:P20648" + }, + { + "key": "positively regulates", + "source": "UniProt:P20648", + "target": "GO:0001696" + }, + { + "key": "increases abundance of", + "source": "GO:0001696", + "target": "MESH:D005744" + }, + { + "key": "positively correlated with", + "source": "MESH:D005744", + "target": "MESH:D010437" + }, + { + "key": "manifestation of", + "source": "MESH:D010437", + "target": "MESH:D009377" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C064276", + "label": "Drug", + "name": "Pantoprazole" + }, + { + "id": 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}, + { + "key": "positively regulates", + "source": "UniProt:P00533", + "target": "reactome:R-HSA-109704" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-5673001", + "target": "GO:0008283" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-109704", + "target": "GO:0008283" + }, + { + "key": "causes", + "source": "GO:0008283", + "target": "MESH:D002289" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C419708", + "label": "Drug", + "name": "Gefitinib" + }, + { + "id": "UniProt:P00533", + "label": "Protein", + "name": "Epidermal growth factor receptor" + }, + { + "id": "reactome:R-HSA-5673001", + "label": "Pathway", + "name": "RAF/MAP kinase cascade" + }, + { + "id": "reactome:R-HSA-109704", + "label": "Pathway", + "name": "PI3K Cascade" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "Cell proliferation" + }, + { + "id": "MESH:D002289", + "label": "Disease", + "name": "Non-small cell lung cancer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00317" + ] + }, + { + "comment": "Lisuride is used to prevent migraine attacks in low doses. Due to its highly non-selective pharmacological activity, lisuride is described as a \"dirty drug\". The exact mechanism of action of lisuride is not clear however it is likely due to agonism of 5-HT1B/1D receptors.", + "directed": true, + "graph": { + "_id": "DB00589_MESH_D008881_1", + "disease": "Migraine", + "disease_mesh": "MESH:D008881", + "drug": "Lisuride", + "drug_mesh": "MESH:D008090", + "drugbank": "DB:DB00589" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D008090", + "target": "UniProt:P28222" + }, + { + "key": "positively regulates", + "source": "MESH:D008090", + "target": "UniProt:P28221" + }, + { + "key": "positively regulates", + "source": "UniProt:P28222", + "target": "GO:0004993" + }, + { + "key": "positively regulates", + "source": "UniProt:P28221", + "target": "GO:0004993" + }, + { + "key": "positively correlated with", + "source": "GO:0004993", + "target": "GO:0042310" + }, + { + "key": "negatively correlated with", + "source": "GO:0042310", + "target": "MESH:D008881" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008090", 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+ ] + }, + { + "directed": true, + "graph": { + "_id": "DB00876_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MESH:D006973", + "drug": "Eprosartan", + "drug_mesh": "MESH:C068373", + "drugbank": "DB:DB00876" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C068373", + "target": "UniProt:P30556" + }, + { + "key": "positively correlated with", + "source": "UniProt:P30556", + "target": "MESH:D000804" + }, + { + "key": "positively regulates", + "source": "MESH:D000804", + "target": "MESH:D014661" + }, + { + "key": "positively correlated with", + "source": "MESH:D014661", + "target": "HP:0032263" + }, + { + "key": "positively correlated with", + "source": "HP:0032263", + "target": "MESH:D006973" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C068373", + "label": "Drug", + "name": "Eprosartan" + }, + { + "id": "UniProt:P30556", + "label": "Protein", + "name": "Type-1 angiotensin II receptor" + }, + { + "id": "MESH:D000804", + 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It has been reported that levosimendan may act preferentially as a Ca2+ sensitizer at lower concentrations.", + "directed": true, + "graph": { + "_id": "DB00922_MESH_D006333_1", + "disease": "Congestive heart failure", + "disease_mesh": "MESH:D006333", + "drug": "levosimendan", + "drug_mesh": "MESH:C076731", + "drugbank": "DB:DB00922" + }, + "links": [ + { + "key": "increases stability of", + "source": "MESH:C076731", + "target": "UniProt:P63316" + }, + { + "key": "positively regulates", + "source": "UniProt:P63316", + "target": "GO:0060047" + }, + { + "key": "negatively correlated with", + "source": "GO:0060047", + "target": "MESH:D006333" + }, + { + "key": "increases activity of", + "source": "MESH:C076731", + "target": "UniProt:Q14654" + }, + { + "key": "increases activity of", + "source": "MESH:C076731", + "target": "UniProt:Q15842" + }, + { + "key": "positively regulates", + "source": "UniProt:Q14654", + "target": "GO:0044557" + }, + { + "key": "positively regulates", + "source": "UniProt:Q15842", + "target": "GO:0044557" + }, + { + "key": "positively regulates", + "source": "GO:0044557", + "target": "GO:0042311" + }, + { + "key": "negatively correlated with", + "source": "GO:0042311", + "target": "HP:0000822" + }, + { + "key": "affects risk for", + "source": "HP:0000822", + "target": "MESH:D006333" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C076731", + "label": "Drug", + "name": "Levosimendan" + }, + { + "id": "UniProt:P63316", + "label": "Protein", + "name": "Troponin C, slow skeletal and cardiac muscles" + }, + { + "id": "GO:0060047", + "label": "BiologicalProcess", + "name": "Heart contraction" + }, + { + "id": "UniProt:Q15842", + "label": "Protein", + "name": "ATP-sensitive inward rectifier potassium channel 8" + }, + { + "id": "UniProt:Q14654", + "label": "Protein", + "name": "ATP-sensitive inward rectifier potassium channel 11" + }, + { + "id": "GO:0044557", + "label": "BiologicalProcess", + "name": "Relaxation of smooth muscle" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "Vasodilation" + }, + { + "id": "HP:0000822", + "label": "PhenotypicFeature", + "name": "Hypertension" + }, + { + "id": "MESH:D006333", + "label": "Disease", + "name": "Congestive heart failure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00922" + ] + }, + { + "comment": "Levosimendan has not been approved for use in the U.S. or Canada. 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"graph": { + "_id": "DB09154_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MESH:D010437", + "drug": "sodium citrate", + "drug_mesh": "MESH:D000077559", + "drugbank": "DB:DB09154" + }, + "links": [ + { + "key": "negatively regulates", + "source": "DB:DB09154", + "target": "MESH:D005744" + }, + { + "key": "positively correlated with", + "source": "MESH:D005744", + "target": "MESH:D010437" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB09154", + "label": "Drug", + "name": "Sodium citrate" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric Acid" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09154" + ] + }, + { + "comment": "Please note that the MESH ID has changed for sodium citrate and current ID is D000077559 (previously used MESH IDs were MESH:C102006,MESH:C514290).", + "directed": true, + "graph": { + "_id": "DB09154_MESH_D003139_1", + "disease": "Common cold", + "disease_mesh": "MESH:D003139", + "drug": "sodium citrate", + "drug_mesh": "MESH:D000077559", + "drugbank": "DB:DB09154" + }, + "links": [ + { + "key": "disrupts", + "source": "MESH:D000077559", + "target": "UBERON:0000912" + }, + { + "key": "positively correlated with", + "source": "UBERON:0000912", + "target": "HP:0031417" + }, + { + "key": "manifestation of", + "source": "HP:0031417", + "target": "MESH:D003139" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000077559", + "label": "Drug", + "name": "Sodium citrate" + }, + { + "id": "UBERON:0000912", + "label": "GrossAnatomicalStructure", + "name": "Mucus" + }, + { + "id": "HP:0031417", + "label": "PhenotypicFeature", + "name": "Rhinorrhea" + }, + { + "id": "MESH:D003139", + "label": "Disease", + "name": "Common cold" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09154", + "https://en.wikipedia.org/wiki/Mucoactive_agent" + ] + }, + { + "directed": 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"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2811866/", + "https://go.drugbank.com/drugs/DB04896" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06413_MESH_D009290_1", + "disease": "Narcolepsy", + "disease_mesh": "MESH:D009290", + "drug": "armodafinil", + "drug_mesh": "MESH:C579652", + "drugbank": "DB:DB06413" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C579652", + "target": "UniProt:Q01959" + }, + { + "key": "positively regulates", + "source": "UniProt:Q01959", + "target": "GO:0090494" + }, + { + "key": "decreases abundance of", + "source": "GO:0090494", + "target": "MESH:D004298" + }, + { + "key": "positively regulates", + "source": "MESH:D004298", + "target": "GO:0042746" + }, + { + "key": "negatively correlated with", + "source": "GO:0042746", + "target": "MESH:D009290" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C579652", + "label": "Drug", + "name": "Armodafinil" + }, + { + "id": "UniProt:Q01959", + "label": "Protein", + 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the entry term for this drug was macrogol, however the proper name is polyethylene glycol.", + "directed": true, + "graph": { + "_id": "DB09287_MESH_D003248_1", + "disease": "Constipation", + "disease_mesh": "MESH:D003248", + "drug": "Polyethylene glycol", + "drug_mesh": "MESH:C000595213,MESH:C000595211,MESH:C000595212", + "drugbank": "DB:DB09287" + }, + "links": [ + { + "key": "subclass of", + "source": "DB:DB09287", + "target": "MESH:D054368" + }, + { + "key": "positively regulates", + "source": "MESH:D054368", + "target": "GO:0120054" + }, + { + "key": "positively correlated with", + "source": "GO:0120054", + "target": "GO:0030421" + }, + { + "key": "negatively correlated with", + "source": "GO:0030421", + "target": "MESH:D003248" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB09287", + "label": "Drug", + "name": "Polyethylene glycol" + }, + { + "id": "MESH:D054368", + "label": "ChemicalSubstance", + "name": "Laxatives" + }, + { + "id": "GO:0120054", + "label": 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This graph was made for dimethyl fumarate. Dimethyl fumarate ia a prodrug which is metabolised into the pharmacologically active monomethyl fumarate.", + "directed": true, + "graph": { + "_id": "DB08908_MESH_D011565_1", + "disease": "Psoriasis", + "disease_mesh": "MESH:D011565", + "drug": "Dimethyl fumarate", + "drug_mesh": "MESH:D000069462", + "drugbank": "DB:DB08908" + }, + "links": [ + { + "key": "negatively regulates", + "source": "DB:DB08908", + "target": "GO:0038061" + }, + { + "key": "positively regulates", + "source": "GO:0038061", + "target": "GO:0001816" + }, + { + "key": "positively correlated with", + "source": "GO:0001816", + "target": "GO:0006954" + }, + { + "key": "positively regulates", + "source": "DB:DB08908", + "target": "reactome:R-HSA-8932339" + }, + { + "key": "increases activity of", + "source": "reactome:R-HSA-8932339", + "target": "UniProt:P09601" + }, + { + "key": "negatively regulates", + "source": "UniProt:P09601", + "target": "GO:0006954" + }, + { + "key": "increases activity of", + "source": 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acid receptor 2" + }, + { + "id": "GO:1990266", + "label": "BiologicalProcess", + "name": "Neutrophil migration" + }, + { + "id": "MESH:D011565", + "label": "Disease", + "name": "Psoriasis" + } + ], + "reference": [ + "https://pubmed.ncbi.nlm.nih.gov/27271164/", + "https://onlinelibrary.wiley.com/doi/10.1111/exd.13548", + "https://go.drugbank.com/drugs/DB08908" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB04786_MESH_D014353_1", + "disease": "African trypanosomiasis", + "disease_mesh": "MESH:D014353", + "drug": "suramin", + "drug_mesh": "MESH:D013498", + "drugbank": "DB:DB04786" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D013498", + "target": "reactome:R-HSA-70171" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-70171", + "target": "GO:0006754" + }, + { + "key": "in taxon", + "source": "GO:0006754", + "target": "taxonomy:5691" + }, + { + "key": "causes", + "source": "taxonomy:5691", + "target": "MESH:D014353" + } + ], + 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"multigraph": true, + "nodes": [ + { + "id": "MESH:D001726", + "label": "Drug", + "name": "Bisacodyl" + }, + { + "id": "MESH:C073061", + "label": "ChemicalSubstance", + "name": "4-(2-benzyl-4-hydroxy)phenoxy-N-methylbutylamine" + }, + { + "id": "GO:0120054", + "label": "BiologicalProcess", + "name": "Intestinal motility" + }, + { + "id": "UBERON:0004293", + "label": "GrossAnatomicalStructure", + "name": "Parasympathetic nerve" + }, + { + "id": "UBERON:0012399", + "label": "GrossAnatomicalStructure", + "name": "Large intestine smooth muscle longitudinal layer" + }, + { + "id": "UBERON:0001155", + "label": "GrossAnatomicalStructure", + "name": "Colon" + }, + { + "id": "GO:0006833", + "label": "BiologicalProcess", + "name": "Water transport" + }, + { + "id": "UniProt:Q92482", + "label": "Protein", + "name": "Aquaporin-3" + }, + { + "id": "MESH:D003248", + "label": "Disease", + "name": "Constipation" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09020" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09241_MESH_D008708_1", + "disease": "Methemoglobinemia", + "disease_mesh": "MESH:D008708", + "drug": "methylthioninium chloride", + "drug_mesh": "MESH:D008751", + "drugbank": "DB:DB09241" + }, + "links": [ + { + "key": "increases abundance of", + "source": "MESH:D008751", + "target": "MESH:C011010" + }, + { + "key": "decreases abundance of", + "source": "MESH:C011010", + "target": "MESH:D008706" + }, + { + "key": "positively correlated with", + "source": "MESH:D008706", + "target": "MESH:D008708" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008751", + "label": "Drug", + "name": "Methylthioninium chloride" + }, + { + "id": "MESH:C011010", + "label": "ChemicalSubstance", + "name": "Hydromethylthionine" + }, + { + "id": "MESH:D008706", + "label": "ChemicalSubstance", + "name": "Methemoglobin" + }, + { + "id": "MESH:D008708", + "label": "Disease", + "name": "Methemoglobinemia" + } + ], + "reference": [ + 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"MESH:D017202", + "drug": "fendiline", + "drug_mesh": "MESH:D005275", + "drugbank": "DB:DB08980" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D005275", + "target": "MESH:D015220" + }, + { + "key": "positively regulates", + "source": "MESH:D015220", + "target": "GO:0070509" + }, + { + "key": "positively correlated with", + "source": "GO:0070509", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0033401" + }, + { + "key": "located in", + "source": "HP:0033401", + "target": "UBERON:0000948" + }, + { + "key": "location of", + "source": "UBERON:0000948", + "target": "MESH:D017202" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005275", + "label": "Drug", + "name": "fendiline" + }, + { + "id": "MESH:D015220", + "label": "GeneFamily", + "name": "Calcium Channels" + }, + { + "id": "GO:0070509", + "label": "BiologicalProcess", + "name": "calcium ion import" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0033401", + "label": "PhenotypicFeature", + "name": "Tissue ischemia" + }, + { + "id": "UBERON:0000948", + "label": "GrossAnatomicalStructure", + "name": "heart" + }, + { + "id": "MESH:D017202", + "label": "Disease", + "name": "Ischemic heart disease" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Fendiline" + ] + }, + { + "comment": "Althouth InterPro and Pfam have entries to encompass different types of calcium channels, the chosen MESH term is the most generic term that encompasses ALL calcium channels, rather than individual domains, subunits or classes.", + "directed": true, + "graph": { + "_id": "DB00356_MESH_D009128_1", + "disease": "Spasticity", + "disease_mesh": "MESH:D009128", + "drug": "chlorzoxazone", + "drug_mesh": "MESH:D002753", + "drugbank": "DB:DB00356" + }, + "links": [ + { + "key": "negatively correlated with", + "source": "MESH:D002753", + "target": "HP:0002493" + }, + { + "key": "positively correlated with", + "source": "HP:0002493", + "target": "MESH:D009128" + }, + { + "key": "decreases abundance of", + "source": "MESH:D002753", + "target": "HP:0031826" + }, + { + "key": "positively correlated with", + "source": "HP:0031826", + "target": "HP:0003394" + }, + { + "key": "positively correlated with", + "source": "HP:0003394", + "target": "MESH:D009128" + }, + { + "key": "negatively regulates", + "source": "MESH:D002753", + "target": "MESH:D015220" + }, + { + "key": "negatively regulates", + "source": "MESH:D002753", + "target": "MESH:D015221" + }, + { + "key": "positively correlated with", + "source": "MESH:D015220", + "target": "GO:0006936" + }, + { + "key": "positively correlated with", + "source": "MESH:D015221", + "target": "GO:0006936" + }, + { + "key": "positively regulates", + "source": "MESH:D002753", + "target": "GO:0016917" + }, + { + "key": "positively correlated with", + "source": "GO:0016917", + "target": "GO:0061534" + }, + { + "key": "positively correlated with", + "source": "GO:0061534", + "target": "GO:0090075" + }, + { + "key": "positively correlated with", + "source": "GO:0006936", + "target": "MESH:D009128" + }, + { + "key": "negatively correlated with", + "source": "GO:0090075", + "target": "MESH:D009128" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002753", + "label": "Drug", + "name": "chlorzoxazone" + }, + { + "id": "MESH:D015220", + "label": "GeneFamily", + "name": "Calcium Channels" + }, + { + "id": "MESH:D015221", + "label": "GeneFamily", + "name": "Potassium Channels" + }, + { + "id": "GO:0016917", + "label": "MolecularActivity", + "name": "GABA receptor activity" + }, + { + "id": "GO:0061534", + "label": "BiologicalProcess", + "name": "Gamma-aminobutyric acid secretion, neurotransmission" + }, + { + "id": "GO:0090075", + "label": "BiologicalProcess", + "name": "relaxation of muscle" + }, + { + "id": "GO:0006936", + "label": "BiologicalProcess", + "name": "muscle contraction" + }, + { + "id": "HP:0031826", + "label": "PhenotypicFeature", + "name": "Abnormal reflex" + }, + { + "id": "HP:0003394", + "label": "PhenotypicFeature", + "name": "Muscle spasm" + }, + { + "id": "HP:0002493", + "label": "PhenotypicFeature", + "name": "Upper motor neuron dysfunction" + }, + { + "id": "MESH:D009128", + "label": "Disease", + "name": "Spasticity" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Chlorzoxazone" + ] + }, + { + "comment": "Withdrawn", + "directed": true, + "graph": { + "_id": "DB00830_MESH_D009765_1", + "disease": "Obesity", + "disease_mesh": "MESH:D009765", + "drug": "phenmetrazine", + "drug_mesh": "MESH:D010633", + "drugbank": "DB:DB00830" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D010633", + "target": "UniProt:P23975" + }, + { + "key": "negatively regulates", + "source": "MESH:D010633", + "target": "UniProt:Q01959" + }, + { + "key": "positively correlated with", + "source": "UniProt:P23975", + "target": "GO:0051583" + }, + { + "key": "positively correlated with", + "source": "UniProt:Q01959", + "target": "GO:0051583" + }, + { + "key": "located in", + "source": "GO:0051583", + "target": "UBERON:0004092" + }, + { + "key": "correlated with", + "source": "UBERON:0004092", + "target": "HP:0100738" + }, + { + "key": "correlated with", + "source": "HP:0100738", + "target": "HP:0004324" + }, + { + "key": "manifestation of", + "source": "HP:0004324", + "target": "MESH:D009765" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010633", + "label": "Drug", + "name": "phenmetrazine" + }, + { + "id": "UniProt:Q01959", + "label": "Protein", + "name": "Sodium-dependent dopamine transporter" + }, + { + "id": "UniProt:P23975", + "label": "Protein", + "name": "Sodium-dependent noradrenaline transporter" + }, + { + "id": "GO:0051583", + "label": "BiologicalProcess", + "name": "dopamine uptake involved in synaptic transmission" + }, + { + "id": "UBERON:0004092", + "label": "GrossAnatomicalStructure", + "name": "hypothalamus-pituitary axis" + }, + { + "id": "HP:0100738", + "label": "PhenotypicFeature", + "name": "Abnormal eating behavior" + }, + { + "id": "HP:0004324", + "label": "PhenotypicFeature", + "name": "Increased body weight" + }, + { + "id": "MESH:D009765", + "label": "Disease", + "name": "Obesity" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00830", + "https://en.wikipedia.org/wiki/Phenmetrazine#Pharmacology" + ] + }, + { + "comment": "Phentolamine primary action is vasodilation due to \u03b11 blockade.", + "directed": true, + "graph": { + "_id": "DB00692_MESH_D016491_1", + "disease": "Peripheral vascular disease", + "disease_mesh": "MESH:D016491", + "drug": "phentolamine", + "drug_mesh": "MESH:D010646", + "drugbank": "DB:DB00692" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D010646", + "target": "UniProt:P35368" + }, + { + "key": "decreases activity of", + "source": "MESH:D010646", + "target": "UniProt:P35348" + }, + { + "key": "decreases activity of", + "source": "MESH:D010646", + "target": "UniProt:P25100" + }, + { + "key": "positively regulates", + "source": "UniProt:P35368", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "UniProt:P35348", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "UniProt:P25100", + "target": "GO:0042310" + }, + { + "key": "affects risk for", + "source": "GO:0042310", + "target": "HP:0000822" + }, + { + "key": "positively correlated with", + "source": "HP:0000822", + "target": "MESH:D016491" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010646", + "label": "Drug", + "name": "Phentolamine" + }, + { + "id": "UniProt:P35368", + "label": "Protein", + "name": "Alpha-1B adrenergic receptor" + }, + { + "id": "UniProt:P35348", + "label": "Protein", + "name": "Alpha-1A adrenergic receptor" + }, + { + "id": "UniProt:P25100", + "label": "Protein", + "name": "Alpha-1D adrenergic receptor" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "Vasoconstriction" + }, + { + "id": "HP:0000822", + "label": "PhenotypicFeature", + "name": "Hypertension" + }, + { + "id": "MESH:D016491", + "label": "Disease", + "name": "Peripheral vascular disease" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Phentolamine", + "https://go.drugbank.com/drugs/DB00692#BE0000501", + "https://en.wikipedia.org/wiki/Peripheral_artery_disease#Mechanism" + ] + }, + { + "comment": "Phentolamine primary action is vasodilation due to \u03b11 blockade.", + "directed": true, + "graph": { + "_id": "DB00692_MESH_D010673_1", + "disease": "Pheochromocytoma", + "disease_mesh": "MESH:D010673", + "drug": "phentolamine", + "drug_mesh": "MESH:D010646", + "drugbank": "DB:DB00692" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D010646", + "target": "UniProt:P35368" + }, + { + "key": "decreases activity of", + "source": "MESH:D010646", + "target": "UniProt:P35348" + }, + { + "key": "decreases activity of", + "source": "MESH:D010646", + "target": "UniProt:P25100" + }, + { + "key": "positively regulates", + "source": "UniProt:P35368", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "UniProt:P35348", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "UniProt:P25100", + "target": "GO:0042310" + }, + { + "key": "affects risk for", + "source": "GO:0042310", + "target": "HP:0000822" + }, + { + "key": "manifestation of", + "source": "HP:0000822", + "target": "MESH:D010673" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010646", + "label": "Drug", + "name": "Phentolamine" + }, + { + "id": "UniProt:P35368", + "label": "Protein", + "name": "Alpha-1B adrenergic receptor" + }, + { + "id": "UniProt:P35348", + "label": "Protein", + "name": "Alpha-1A adrenergic receptor" + }, + { + "id": "UniProt:P25100", + "label": "Protein", + "name": "Alpha-1D adrenergic receptor" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "Vasoconstriction" + }, + { + "id": "HP:0000822", + "label": "PhenotypicFeature", + "name": "Hypertension" + }, + { + "id": "MESH:D010673", + "label": "Disease", + "name": "Pheochromocytoma" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Phentolamine", + "https://go.drugbank.com/drugs/DB00692#BE0000501", + "https://en.wikipedia.org/wiki/Pheochromocytoma" + ] + }, + { + "comment": "The precise mode of action of thiabendazole on the parasite is unknown, but it most likely inhibits the helminth-specific enzyme fumarate reductase.", + "directed": true, + "graph": { + "_id": "DB00730_MESH_D013322_1", + "disease": "Infection by Strongyloides", + "disease_mesh": "MESH:D013322", + "drug": "thiabendazole", + "drug_mesh": "MESH:D013827", + "drugbank": "DB:DB00730" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D013827", + "target": "InterPro:IPR005884" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005884", + "target": "GO:0009061" + }, + { + "key": "in taxon", + "source": "GO:0009061", + "target": "taxonomy:6247" + }, + { + "key": "causes", + "source": "taxonomy:6247", + "target": "MESH:D013322" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013827", + "label": "Drug", + "name": "Thiabendazole" + }, + { + "id": "GO:0009061", + "label": "BiologicalProcess", + "name": "Anaerobic respiration" + }, + { + "id": "InterPro:IPR005884", + "label": "GeneFamily", + "name": "Fumarate reductase, flavoprotein subunit" + }, + { + "id": "taxonomy:6247", + "label": "OrganismTaxon", + "name": "Strongyloides" + }, + { + "id": "MESH:D013322", + "label": "Disease", + "name": "Infection by Strongyloides" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00730#BE0000548", + "https://en.wikipedia.org/wiki/Tiabendazole", + "https://en.wikipedia.org/wiki/Fumarate_reductase" + ] + }, + { + "comment": "The precise mode of action of thiabendazole on the parasite is unknown, but it most likely inhibits the helminth-specific enzyme fumarate reductase.", + "directed": true, + "graph": { + "_id": "DB00730_MESH_D007815_1", + "disease": "Cutaneous larva migrans", + "disease_mesh": "MESH:D007815", + "drug": "thiabendazole", + "drug_mesh": "MESH:D013827", + "drugbank": "DB:DB00730" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D013827", + "target": "InterPro:IPR005884" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005884", + "target": "GO:0009061" + }, + { + "key": "in taxon", + "source": "GO:0009061", + "target": "taxonomy:33278" + }, + { + "key": "causes", + "source": "taxonomy:33278", + "target": "MESH:D007815" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013827", + "label": "Drug", + "name": "Thiabendazole" + }, + { + "id": "GO:0009061", + "label": "BiologicalProcess", + "name": "Anaerobic respiration" + }, + { + "id": "InterPro:IPR005884", + "label": "GeneFamily", + "name": "Fumarate reductase, flavoprotein subunit" + }, + { + "id": "taxonomy:33278", + "label": "OrganismTaxon", + "name": "Ancylostomatidae" + }, + { + "id": "MESH:D007815", + "label": "Disease", + "name": "Cutaneous larva migrans" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00730#BE0000548", + "https://en.wikipedia.org/wiki/Tiabendazole", + "https://en.wikipedia.org/wiki/Fumarate_reductase" + ] + }, + { + "comment": "The precise mode of action of thiabendazole on the parasite is unknown, but it most likely inhibits the helminth-specific enzyme fumarate reductase.", + "directed": true, + "graph": { + "_id": "DB00730_MESH_D014257_1", + "disease": "Trichuriasis", + "disease_mesh": "MESH:D014257", + "drug": "Thiabendazole", + "drug_mesh": "MESH:D013827", + "drugbank": "DB:DB00730" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D013827", + "target": "InterPro:IPR005884" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005884", + "target": "GO:0009061" + }, + { + "key": "in taxon", + "source": "GO:0009061", + "target": "taxonomy:36087" + }, + { + "key": "causes", + "source": "taxonomy:36087", + "target": "MESH:D014257" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013827", + "label": "Drug", + "name": "Thiabendazole" + }, + { + "id": "GO:0009061", + "label": "BiologicalProcess", + "name": "Anaerobic respiration" + }, + { + "id": "InterPro:IPR005884", + "label": "GeneFamily", + "name": "Fumarate reductase, flavoprotein subunit" + }, + { + "id": "taxonomy:36087", + "label": "OrganismTaxon", + "name": "Trichuris trichiura" + }, + { + "id": "MESH:D014257", + "label": "Disease", + "name": "Trichuriasis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00730#BE0000548", + "https://en.wikipedia.org/wiki/Tiabendazole", + "https://en.wikipedia.org/wiki/Fumarate_reductase" + ] + }, + { + "comment": "The precise mode of action of thiabendazole on the parasite is unknown, but it most likely inhibits the helminth-specific enzyme fumarate reductase.", + "directed": true, + "graph": { + "_id": "DB00730_MESH_D001196_1", + "disease": "Ascariasis", + "disease_mesh": "MESH:D001196", + "drug": "Thiabendazole", + "drug_mesh": "MESH:D013827", + "drugbank": "DB:DB00730" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D013827", + "target": "InterPro:IPR005884" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005884", + "target": "GO:0009061" + }, + { + "key": "in taxon", + "source": "GO:0009061", + "target": "taxonomy:6252" + }, + { + "key": "causes", + "source": "taxonomy:6252", + "target": "MESH:D001196" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013827", + "label": "Drug", + "name": "Thiabendazole" + }, + { + "id": "GO:0009061", + "label": "BiologicalProcess", + "name": "Anaerobic respiration" + }, + { + "id": "InterPro:IPR005884", + "label": "GeneFamily", + "name": "Fumarate reductase, flavoprotein subunit" + }, + { + "id": "taxonomy:6252", + "label": "OrganismTaxon", + "name": "Ascaris lumbricoides" + }, + { + "id": "MESH:D001196", + "label": "Disease", + "name": "Ascariasis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00730#BE0000548", + "https://en.wikipedia.org/wiki/Tiabendazole", + "https://en.wikipedia.org/wiki/Fumarate_reductase", + "https://en.wikipedia.org/wiki/Ascariasis" + ] + }, + { + "comment": "The precise mode of action of thiabendazole on the parasite is unknown, but it most likely inhibits the helminth-specific enzyme fumarate reductase.", + "directed": true, + "graph": { + "_id": "DB00730_MESH_D014120_1", + "disease": "Infection due to Toxocara", + "disease_mesh": "MESH:D014120", + "drug": "Thiabendazole", + "drug_mesh": "MESH:D013827", + "drugbank": "DB:DB00730" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D013827", + "target": "InterPro:IPR005884" + }, + { + "key": "positively regulates", + "source": 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unknown, but it most likely inhibits the helminth-specific enzyme fumarate reductase.", + "directed": true, + "graph": { + "_id": "DB00730_MESH_D014235_1", + "disease": "Infection by larvae of Trichinella spiralis", + "disease_mesh": "MESH:D014235", + "drug": "Thiabendazole", + "drug_mesh": "MESH:D013827", + "drugbank": "DB:DB00730" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D013827", + "target": "InterPro:IPR005884" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005884", + "target": "GO:0009061" + }, + { + "key": "in taxon", + "source": "GO:0009061", + "target": "taxonomy:6334" + }, + { + "key": "causes", + "source": "taxonomy:6334", + "target": "MESH:D014235" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013827", + "label": "Drug", + "name": "Thiabendazole" + }, + { + "id": "GO:0009061", + "label": "BiologicalProcess", + "name": "Anaerobic respiration" + }, + { + "id": "InterPro:IPR005884", + "label": "GeneFamily", + 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"multigraph": true, + "nodes": [ + { + "id": "MESH:D000068696", + "label": "Drug", + "name": "Rilpivirine" + }, + { + "id": "UniProt:Q72547", + "label": "Protein", + "name": "Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)" + }, + { + "id": "GO:0003964", + "label": "BiologicalProcess", + "name": "RNA-directed DNA polymerase activity" + }, + { + "id": "taxonomy:12721", + "label": "OrganismTaxon", + "name": "Human immunodeficiency virus" + }, + { + "id": "GO:0019079", + "label": "BiologicalProcess", + "name": "Viral genome replication" + }, + { + "id": "MESH:D015658", + "label": "Disease", + "name": "Human immunodeficiency virus infection" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08864" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB12230_MESH_D000075222_1", + "disease": "Essential hypertension", + "disease_mesh": "MESH:D000075222", + "drug": "Bunazosin", + "drug_mesh": "MESH:C018176", + "drugbank": "DB:DB12230" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C018176", + "target": "UniProt:P35348" + }, + { + "key": "decreases activity of", + "source": "MESH:C018176", + "target": "UniProt:P25100" + }, + { + "key": "positively regulates", + "source": "UniProt:P35348", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "UniProt:P25100", + "target": "GO:0042310" + }, + { + "key": "affects risk for", + "source": "GO:0042310", + "target": "MESH:D000075222" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C018176", + "label": "Drug", + "name": "Bunazosin" + }, + { + "id": "UniProt:P35348", + "label": "Protein", + "name": "Alpha-1A adrenergic receptor" + }, + { + "id": "UniProt:P25100", + "label": "Protein", + "name": "Alpha-1D adrenergic receptor" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "Vasoconstriction" + }, + { + "id": "MESH:D000075222", + "label": "Disease", + "name": "Essential hypertension" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Bunazosin", + "https://go.drugbank.com/drugs/DB12230", + "https://en.wikipedia.org/wiki/Alpha-1_blocker", + "https://drugs.ncats.io/drug/9UUW4V7G2H" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00455_MESH_D012912_1", + "disease": "sneezing", + "disease_mesh": "MESH:D012912", + "drug": "loratadine", + "drug_mesh": "MESH:D017336", + "drugbank": "DB:DB00455" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D017336", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "positively correlated with", + "source": "GO:0004969", + "target": "GO:0002441" + }, + { + "key": "positively correlated with", + "source": "GO:0002441", + "target": "MESH:D012912" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D017336", + "label": "Drug", + "name": "loratadine" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0004969", + "label": "MolecularActivity", + "name": "histamine receptor activity" + }, + { + "id": "GO:0002441", + "label": "BiologicalProcess", + "name": "histamine secretion involved in inflammatory response" + }, + { + "id": "MESH:D012912", + "label": "Disease", + "name": "sneezing" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00455" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00455_MESH_D012223_1", + "disease": "Vasomotor rhinitis", + "disease_mesh": "MESH:D012223", + "drug": "loratadine", + "drug_mesh": "MESH:D017336", + "drugbank": "DB:DB00455" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D017336", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "positively correlated with", + "source": "GO:0004969", + "target": "GO:0042311" + }, + { + "key": "positively correlated with", + "source": "GO:0042311", + "target": "MESH:D012223" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D017336", + "label": "Drug", + "name": "loratadine" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0004969", + "label": "MolecularActivity", + "name": "histamine receptor activity" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D012223", + "label": "Disease", + "name": "Vasomotor rhinitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00455" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00455_MESH_D006255_1", + "disease": "Seasonal allergic rhinitis", + "disease_mesh": "MESH:D006255", + "drug": "loratadine", + "drug_mesh": "MESH:D017336", + "drugbank": "DB:DB00455" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D017336", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "positively correlated with", + "source": "GO:0004969", + "target": "GO:0002441" + }, + { + "key": "positively correlated with", + "source": "GO:0002441", + "target": "HP:0009926" + }, + { + "key": "positively correlated with", + "source": "GO:0002441", + "target": "HP:0007879" + }, + { + "key": "manifestation of", + "source": "HP:0009926", + "target": "MESH:D006255" + }, + { + "key": "manifestation of", + "source": "HP:0007879", + "target": "MESH:D006255" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D017336", + "label": "Drug", + "name": "loratadine" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0004969", + "label": "MolecularActivity", + "name": "histamine receptor activity" + }, + { + "id": "GO:0002441", + "label": "BiologicalProcess", + "name": "histamine secretion involved in inflammatory response" + }, + { + "id": "HP:0007879", + "label": "PhenotypicFeature", + "name": "Allergic conjunctivitis" + }, + { + "id": "HP:0009926", + "label": "PhenotypicFeature", + "name": "Epiphora" + }, + { + "id": "MESH:D006255", + "label": "Disease", + "name": "Seasonal allergic rhinitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00455" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00455_MESH_D003139_1", + "disease": "Common cold", + "disease_mesh": "MESH:D003139", + "drug": "loratadine", + "drug_mesh": "MESH:D017336", + "drugbank": "DB:DB00455" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D017336", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0006954" + }, + { + "key": "caused by", + "source": "GO:0006954", + "target": "taxonomy:12059" + }, + { + "key": "causes", + "source": "taxonomy:12059", + "target": "MESH:D003139" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D017336", + "label": "Drug", + "name": "loratadine" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "taxonomy:12059", + "label": "OrganismTaxon", + "name": "Enterovirus" + }, + { + "id": "MESH:D003139", + "label": "Disease", + "name": "Common cold" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00455", + "https://en.wikipedia.org/wiki/Common_cold#Viruses" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00455_MESH_D003233_1", + "disease": "Allergic conjunctivitis", + "disease_mesh": "MESH:D003233", + "drug": "loratadine", + "drug_mesh": "MESH:D017336", + "drugbank": "DB:DB00455" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D017336", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "positively correlated with", + "source": "GO:0004969", + "target": "GO:0002441" + }, + { + "key": "positively correlated with", + "source": "GO:0002441", + "target": "MESH:D003233" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D017336", + "label": "Drug", + "name": "loratadine" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0004969", + "label": "MolecularActivity", + "name": "histamine receptor activity" + }, + { + "id": "GO:0002441", + "label": "BiologicalProcess", + "name": "histamine secretion involved in inflammatory response" + }, + { + "id": "MESH:D003233", + "label": "Disease", + "name": "Allergic conjunctivitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00455" + ] + }, + { + "comment": "The chosen MESH term is the most generic term that encompasses ALL Cytochromes C, whereas InterPro and Pfam have terms to encompass specific types of cytochrome C e.g. Cytochrome c oxidase subunit IV superfamily (IPR036639).", + "directed": true, + "graph": { + "_id": "DB09031_MESH_D016773_1", + "disease": "Cutaneous leishmaniasis", + "disease_mesh": "MESH:D016773", + "drug": "miltefosine", + "drug_mesh": "MESH:C039128", + "drugbank": "DB:DB09031" + }, + "links": [ + { + "key": "disrupts", + "source": "MESH:C039128", + "target": "CHEBI:16247" + }, + { + "key": "disrupts", + "source": "MESH:C039128", + "target": "CHEBI:15889" + }, + { + "key": "in taxon", + "source": "CHEBI:16247", + "target": "taxonomy:5658" + }, + { + "key": "in taxon", + "source": "CHEBI:15889", + "target": "taxonomy:5658" + }, + { + "key": "negatively correlated with", + "source": "MESH:C039128", + "target": "MESH:D045304" + }, + { + "key": "in taxon", + "source": "MESH:D045304", + "target": "taxonomy:5658" + }, + { + "key": "causes", + "source": "taxonomy:5658", + "target": "MESH:D016773" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C039128", + "label": "Drug", + "name": "miltefosine" + }, + { + "id": "MESH:D045304", + "label": "GeneFamily", + "name": "Cytochromes c" + }, + { + "id": "CHEBI:16247", + "label": "ChemicalSubstance", + "name": "phospholipid" + }, + { + "id": "CHEBI:15889", + "label": "ChemicalSubstance", + "name": "sterol" + }, + { + "id": "taxonomy:5658", + "label": "OrganismTaxon", + "name": "Leishmania sp" + }, + { + "id": "MESH:D016773", + "label": "Disease", + "name": "Cutaneous leishmaniasis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09031", + "https://www.accessdata.fda.gov/drugsatfda_docs/label/2014/204684s000lbl.pdf" + ] + }, + { + "comment": "The chosen MESH term is the most generic term that encompasses ALL Cytochromes C, whereas InterPro and Pfam have terms to encompass specific types of cytochrome C e.g. Cytochrome c oxidase subunit IV superfamily (IPR036639).", + "directed": true, + "graph": { + "_id": "DB09031_MESH_D007897_1", + "disease": "American mucocutaneous leishmaniasis", + "disease_mesh": "MESH:D007897", + "drug": "miltefosine", + "drug_mesh": "MESH:C039128", + "drugbank": "DB:DB09031" + }, + "links": [ + { + "key": "disrupts", + "source": "MESH:C039128", + "target": "CHEBI:16247" + }, + { + "key": "disrupts", + "source": "MESH:C039128", + "target": "CHEBI:15889" + }, + { + "key": "in taxon", + "source": "CHEBI:16247", + "target": "taxonomy:5658" + }, + { + "key": "in taxon", + "source": "CHEBI:15889", + "target": "taxonomy:5658" + }, + { + "key": "negatively correlated with", + "source": "MESH:C039128", + "target": "MESH:D045304" + }, + { + "key": "in taxon", + "source": "MESH:D045304", + "target": "taxonomy:5658" + }, + { + "key": "causes", + "source": "taxonomy:5658", + "target": "MESH:D007897" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C039128", + "label": "Drug", + "name": "miltefosine" + }, + { + "id": "MESH:D045304", + "label": "GeneFamily", + "name": "Cytochromes c" + }, + { + "id": "CHEBI:16247", + "label": "ChemicalSubstance", + "name": "phospholipid" + }, + { + "id": "CHEBI:15889", + "label": 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"MESH:C039128", + "target": "CHEBI:15889" + }, + { + "key": "in taxon", + "source": "CHEBI:16247", + "target": "taxonomy:5661" + }, + { + "key": "in taxon", + "source": "CHEBI:15889", + "target": "taxonomy:5661" + }, + { + "key": "negatively correlated with", + "source": "MESH:C039128", + "target": "MESH:D045304" + }, + { + "key": "in taxon", + "source": "MESH:D045304", + "target": "taxonomy:5661" + }, + { + "key": "causes", + "source": "taxonomy:5661", + "target": "MESH:D007898" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C039128", + "label": "Drug", + "name": "miltefosine" + }, + { + "id": "MESH:D045304", + "label": "GeneFamily", + "name": "Cytochromes c" + }, + { + "id": "CHEBI:16247", + "label": "ChemicalSubstance", + "name": "phospholipid" + }, + { + "id": "CHEBI:15889", + "label": "ChemicalSubstance", + "name": "sterol" + }, + { + "id": "taxonomy:5661", + "label": "OrganismTaxon", + "name": "Leishmania donovani" + }, + { + "id": "MESH:D007898", + "label": "Disease", + "name": "Visceral leishmaniasis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09031", + "https://www.accessdata.fda.gov/drugsatfda_docs/label/2014/204684s000lbl.pdf" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01073_MESH_D015451_1", + "disease": "Chronic lymphoid leukemia, disease", + "disease_mesh": "MESH:D015451", + "drug": "fludarabine phosphate", + "drug_mesh": "MESH:C042382", + "drugbank": "DB:DB01073" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C042382", + "target": "UniProt:P09884" + }, + { + "key": "negatively regulates", + "source": "MESH:C042382", + "target": "UniProt:P23921" + }, + { + "key": "negatively regulates", + "source": "MESH:C042382", + "target": "UniProt:P49643" + }, + { + "key": "positively regulates", + "source": "UniProt:P09884", + "target": "GO:0006260" + }, + { + "key": "positively regulates", + "source": "UniProt:P23921", + "target": "GO:0006260" + }, + { + "key": "positively regulates", 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lymphoid leukemia, disease" + } + ], + "reference": [ + "https://www.cancer.gov/publications/dictionaries/cancer-drug/def/fludarabine-phosphate" + ] + }, + { + "comment": "Epilepsies, Partial is the disease name in MESH but known as Simple partial seizure in the original pre-curated file.", + "directed": true, + "graph": { + "_id": "DB00906_MESH_D004828_1", + "disease": "Epilepsies, Partial", + "disease_mesh": "MESH:D004828", + "drug": "tiagabine", + "drug_mesh": "MESH:C059205", + "drugbank": "DB:DB00906" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C059205", + "target": "UniProt:P30531" + }, + { + "key": "positively regulates", + "source": "UniProt:P30531", + "target": "GO:0051936" + }, + { + "key": "positively correlated with", + "source": "GO:0051936", + "target": "MESH:D004828" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C059205", + "label": "Drug", + "name": "tiagabine" + }, + { + "id": "UniProt:P30531", + "label": "GeneFamily", + 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"id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "Inflammatory response" + }, + { + "id": "MESH:D002062", + "label": "Disease", + "name": "Bursitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00605" + ] + }, + { + "comment": "In the DrugCentral the drug trometamol (tromethamine) was indicated for allergic conjunctivitis, however no literature evidences found about the mechanism of action of trometamol treating allergic conjunctivitis. For the treatment of allergic conjunctivitis the ketorolac tromethamine is used.", + "directed": true, + "graph": { + "_id": "DBSALT001045_MESH_D003233_1", + "disease": "Allergic conjunctivitis", + "disease_mesh": "MESH:D003233", + "drug": "Ketorolac tromethamine", + "drug_mesh": "MESH:D020911", + "drugbank": "DB:DBSALT001045" + }, + "links": [ + { + "key": "decreases activity of", + "source": "DB:DBSALT001045", + "target": "UniProt:P35354" + }, + { + "key": "decreases activity of", + "source": "DB:DBSALT001045", + "target": "UniProt:P23219" + }, + { + "key": "increases abundance of", + "source": "UniProt:P35354", + "target": "MESH:D011453" + }, + { + "key": "increases abundance of", + "source": "UniProt:P23219", + "target": "MESH:D011453" + }, + { + "key": "participates in", + "source": "MESH:D011453", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MESH:D003233" + } + ], + "multigraph": true, + "nodes": [ + { + "id": 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adrenergic receptor" + }, + { + "id": "UniProt:P25100", + "label": "Protein", + "name": "Alpha-1D adrenergic receptor" + }, + { + "id": "GO:0014832", + "label": "BiologicalProcess", + "name": "Urinary bladder smooth muscle contraction" + }, + { + "id": "HP:0100515", + "label": "PhenotypicFeature", + "name": "Pollakisuria" + }, + { + "id": "MESH:D011470", + "label": "Disease", + "name": "Benign prostatic hyperplasia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06207" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09042_MESH_D017192_1", + "disease": "Bacterial infection of skin", + "disease_mesh": "MESH:D017192", + "drug": "tedizolid phosphate", + "drug_mesh": "MESH:C515040", + "drugbank": "DB:DB09042" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C515040", + "target": "CHEBI:82717" + }, + { + "key": "decreases activity of", + "source": "CHEBI:82717", + "target": "GO:0005840" + }, + { + "key": "positively regulates", + "source": 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"name": "Toloxatone" + }, + { + "id": "UniProt:P21397", + "label": "Protein", + "name": "Amine oxidase [flavin-containing] A" + }, + { + "id": "GO:0042402", + "label": "BiologicalProcess", + "name": "Cellular biogenic amine catabolic process" + }, + { + "id": "MESH:D009638", + "label": "ChemicalSubstance", + "name": "Norepinephrine" + }, + { + "id": "MESH:D012701", + "label": "ChemicalSubstance", + "name": "Serotonin" + }, + { + "id": "GO:0099153", + "label": "BiologicalProcess", + "name": "Synaptic transmission, serotonergic" + }, + { + "id": "GO:0099155", + "label": "BiologicalProcess", + "name": "Synaptic transmission, noradrenergic" + }, + { + "id": "MESH:D003866", + "label": "Disease", + "name": "Depressive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09245" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00090_MESH_D008059_2", + "disease": "Mucopolysaccharidosis, MPS-I", + "disease_mesh": "MESH:D008059", + "drug": "laronidase", + "drug_mesh": null, + "drugbank": "DB:DB00090" + }, + "links": [ + { + "key": "chemically similar to", + "source": "DB:DB00090", + "target": "UniProt:P35475" + }, + { + "key": "increases degradation of", + "source": "UniProt:P35475", + "target": "CHEBI:43394" + }, + { + "key": "decreases abundance of", + "source": "CHEBI:43394", + "target": "MESH:D006025" + }, + { + "key": "manifestation of", + "source": "MESH:D006025", + "target": "MESH:D008059" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB00090", + "label": "Drug", + "name": "laronidase" + }, + { + "id": "UniProt:P35475", + "label": "Protein", + "name": "Alpha-L-iduronidase" + }, + { + "id": "CHEBI:43394", + "label": "ChemicalSubstance", + "name": "\u03b1-L-iduronic acid" + }, + { + "id": "MESH:D006025", + "label": "ChemicalSubstance", + "name": "Glycosaminoglycan" + }, + { + "id": "MESH:D008059", + "label": "Disease", + "name": "Mucopolysaccharidosis, MPS-I" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00090" + ] + }, + { + "comment": "Mechanism of action unknown. The hypothesis for the natural concentration is that lutein helps protect from oxidative stress", + "directed": true, + "graph": { + "_id": "DB00137_MESH_D008268_2", + "disease": "Age related macular degeneration", + "disease_mesh": "MESH:D008268", + "drug": "lutein", + "drug_mesh": "MESH:D014975", + "drugbank": "DB:DB00137" + }, + "links": [ + { + "key": "chemically similar to", + "source": "MESH:D014975", + "target": "CHEBI:23044" + }, + { + "key": "located in", + "source": "CHEBI:23044", + "target": "UBERON:0000054" + }, + { + "key": "participates in", + "source": "UBERON:0000054", + "target": "GO:0016209" + }, + { + "key": "prevents", + "source": "GO:0016209", + "target": "MESH:D008268" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014975", + "label": "Drug", + "name": "lutein" + }, + { + "id": "CHEBI:23044", + "label": "ChemicalSubstance", + "name": "carotenoid" + }, + { + "id": "UBERON:0000054", + "label": "GrossAnatomicalStructure", + "name": "Macula" + }, + { + "id": "GO:0016209", + "label": "MolecularActivity", + "name": "antioxidant activity" + }, + { + "id": "MESH:D008268", + "label": "Disease", + "name": "Age related macular degeneration" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00137", + "https://pubmed.ncbi.nlm.nih.gov/28425969/" + ] + }, + { + "comment": "Mechanism of action unknown. The hypothesis for the natural concentration is that lutein helps protect from oxidative stress", + "directed": true, + "graph": { + "_id": "DB00137_MESH_D015352_2", + "disease": "Tear film insufficiency", + "disease_mesh": "MESH:D015352", + "drug": "lutein", + "drug_mesh": "MESH:D014975", + "drugbank": "DB:DB00137" + }, + "links": [ + { + "key": "chemically similar to", + "source": "MESH:D014975", + "target": "CHEBI:23044" + }, + { + "key": "located in", + "source": "CHEBI:23044", + "target": "UBERON:0000054" + }, + { + "key": "participates in", + "source": "UBERON:0000054", + "target": "GO:0016209" + }, + { + "key": "prevents", + "source": "GO:0016209", + "target": "MESH:D015352" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014975", + "label": "Drug", + "name": "lutein" + }, + { + "id": "CHEBI:23044", + "label": "ChemicalSubstance", + "name": "carotenoid" + }, + { + "id": "UBERON:0000054", + "label": "GrossAnatomicalStructure", + "name": "Macula" + }, + { + "id": "GO:0016209", + "label": "MolecularActivity", + "name": "antioxidant activity" + }, + { + "id": "MESH:D015352", + "label": "Disease", + "name": "Tear film insufficiency" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00137", + "https://pubmed.ncbi.nlm.nih.gov/28425969/" + ] + }, + { + "comment": "Mechanism of action unknown. The hypothesis for the natural concentration is that lutein helps protect from oxidative stress", + "directed": true, + "graph": { + "_id": "DB00137_MESH_D000080343_2", + "disease": "Meibomian gland dysfunction", + "disease_mesh": "MESH:D000080343", + "drug": "lutein", + "drug_mesh": "MESH:D014975", + "drugbank": "DB:DB00137" + }, + "links": [ + { + "key": "chemically similar to", + "source": "MESH:D014975", + "target": "CHEBI:23044" + }, + { + "key": "located in", + "source": "CHEBI:23044", + "target": "UBERON:0000054" + }, + { + "key": "participates in", + "source": "UBERON:0000054", + "target": "GO:0016209" + }, + { + "key": "prevents", + "source": "GO:0016209", + "target": "MESH:D000080343" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014975", + "label": "Drug", + "name": "lutein" + }, + { + "id": "CHEBI:23044", + "label": "ChemicalSubstance", + "name": "carotenoid" + }, + { + "id": "UBERON:0000054", + "label": "GrossAnatomicalStructure", + "name": "Macula" + }, + 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"graph": { + "_id": "DB00394_MESH_D065631_1", + "disease": "Allergic rhinitis", + "disease_mesh": "MESH:D065631", + "drug": "Beclomethasone dipropionate", + "drug_mesh": null, + "drugbank": "DB:DB00394" + }, + "links": [ + { + "key": "has metabolite", + "source": "DB:DB00394", + "target": "CHEBI:3001" + }, + { + "key": "positively regulates", + "source": "CHEBI:3001", + "target": "UniProt:P04150" + }, + { + "key": "negatively regulates", + "source": "UniProt:P04150", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MESH:D065631" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB00394", + "label": "Drug", + "name": "Beclomethasone dipropionate" + }, + { + "alt_names": [ + "Beclomethasone 17-monopropionate" + ], + "id": "CHEBI:3001", + "label": "ChemicalSubstance", + "name": "beclomethasone" + }, + { + "id": "UniProt:P04150", + "label": "Protein", + "name": "Glucocorticoid receptor" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D065631", + "label": "Disease", + "name": "Allergic rhinitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00394", + "https://en.wikipedia.org/wiki/Beclometasone#Pharmacology" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00426_MESH_D006562_1", + "disease": "Herpes zoster", + "disease_mesh": "MESH:D006562", + "drug": "famciclovir", + "drug_mesh": "MESH:D000077595", + "drugbank": "DB:DB00426" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D000077595", + "target": "DB:DB00299" + }, + { + "key": "negatively regulates", + "source": "DB:DB00299", + "target": "UniProt:P09252" + }, + { + "key": "positively regulates", + "source": "UniProt:P09252", + "target": "GO:0039693" + }, + { + "key": "in taxon", + "source": "GO:0039693", + "target": "taxonomy:10335" + }, + { + "key": "causes", + "source": "taxonomy:10335", + "target": "MESH:D006562" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000077595", + "label": "Drug", + "name": "famciclovir" + }, + { + "id": "DB:DB00299", + "label": "Drug", + "name": "Penciclovir" + }, + { + "id": "UniProt:P09252", + "label": "Protein", + "name": "DNA polymerase catalytic subunit" + }, + { + "id": "GO:0039693", + "label": "BiologicalProcess", + "name": "viral DNA genome replication" + }, + { + "id": "taxonomy:10335", + "label": "OrganismTaxon", + "name": "Human alphaherpesvirus 3" + }, + { + "id": "MESH:D006562", + "label": "Disease", + "name": "Herpes zoster" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00426" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06820_MESH_D014008_1", + "disease": "Tinea pedis", + "disease_mesh": "MESH:D014008", + "drug": "sulconazole", + "drug_mesh": "MESH:C033308", + "drugbank": "DB:DB06820" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C033308", + "target": "UniProt:P10613" + }, + { + "key": "positively regulates", + "source": "UniProt:P10613", + "target": "GO:0006696" + }, + { + "key": "in taxon", + "source": "GO:0006696", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MESH:D014008" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C033308", + "label": "Drug", + "name": "sulconazole" + }, + { + "id": "UniProt:P10613", + "label": "Protein", + "name": "Lanosterol 14-alpha demethylase" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D014008", + "label": "Disease", + "name": "Tinea pedis" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1221/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06820_MESH_D014010_1", + "disease": "Pityriasis versicolor", + "disease_mesh": "MESH:D014010", + 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+ "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1221/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00682_MESH_D013923_1", + "disease": "Thromboembolic disorder", + "disease_mesh": "MESH:D013923", + "drug": "warfarin", + "drug_mesh": "MESH:D014859", + "drugbank": "DB:DB00682" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D014859", + "target": "UniProt:Q9BQB6" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9BQB6", + "target": "GO:0007596" + }, + { + "key": "correlated with", + "source": "GO:0007596", + "target": "GO:0072378" + }, + { + "key": "affects risk for", + "source": "GO:0072378", + "target": "MESH:D013923" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014859", + "label": "Drug", + "name": "warfarin" + }, + { + "id": "UniProt:Q9BQB6", + "label": "Protein", + "name": "Vitamin K epoxide reductase complex subunit 1" + }, + { + "id": "GO:0007596", + "label": "BiologicalProcess", + "name": "blood coagulation" + }, + { + "id": "GO:0072378", + "label": "BiologicalProcess", + "name": "blood coagulation, fibrin clot formation" + }, + { + "id": "MESH:D013923", + "label": "Disease", + "name": "Thromboembolic disorder" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1464/", + "https://go.drugbank.com/drugs/DB00682" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00682_MESH_D020766_1", + "disease": "Cerebral embolism", + "disease_mesh": "MESH:D020766", + "drug": "warfarin", + "drug_mesh": "MESH:D014859", + "drugbank": "DB:DB00682" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D014859", + "target": "UniProt:Q9BQB6" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9BQB6", + "target": "GO:0007596" + }, + { + "key": "correlated with", + "source": "GO:0007596", + "target": "GO:0072378" + }, + { + "key": "affects risk for", + "source": "GO:0072378", + "target": "MESH:D020766" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014859", + "label": "Drug", + "name": "warfarin" + }, + { + "id": "UniProt:Q9BQB6", + "label": "Protein", + "name": "Vitamin K epoxide reductase complex subunit 1" + }, + { + "id": "GO:0007596", + "label": "BiologicalProcess", + "name": "blood coagulation" + }, + { + "id": "GO:0072378", + "label": "BiologicalProcess", + "name": "blood coagulation, fibrin clot formation" + }, + { + "id": "MESH:D020766", + "label": "Disease", + "name": "Cerebral embolism" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1464/", + "https://go.drugbank.com/drugs/DB00682" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00682_MESH_D020246_1", + "disease": "Deep venous thrombosis", + "disease_mesh": "MESH:D020246", + "drug": "warfarin", + "drug_mesh": "MESH:D014859", + "drugbank": "DB:DB00682" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D014859", + "target": "UniProt:Q9BQB6" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9BQB6", + "target": "GO:0007596" + }, + { + "key": "correlated with", + "source": "GO:0007596", + "target": "GO:0072378" + }, + { + "key": "affects risk for", + "source": "GO:0072378", + "target": "MESH:D020246" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014859", + "label": "Drug", + "name": "warfarin" + }, + { + "id": "UniProt:Q9BQB6", + "label": "Protein", + "name": "Vitamin K epoxide reductase complex subunit 1" + }, + { + "id": "GO:0007596", + "label": "BiologicalProcess", + "name": "blood coagulation" + }, + { + "id": "GO:0072378", + "label": "BiologicalProcess", + "name": "blood coagulation, fibrin clot formation" + }, + { + "id": "MESH:D020246", + "label": "Disease", + "name": "Deep venous thrombosis" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1464/", + "https://go.drugbank.com/drugs/DB00682" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00682_MESH_D013927_1", + "disease": "Thrombosis", + "disease_mesh": "MESH:D013927", + "drug": "warfarin", + "drug_mesh": "MESH:D014859", + "drugbank": "DB:DB00682" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D014859", + "target": "UniProt:Q9BQB6" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9BQB6", + "target": "GO:0007596" + }, + { + "key": "correlated with", + "source": "GO:0007596", + "target": "GO:0072378" + }, + { + "key": "affects risk for", + "source": "GO:0072378", + "target": "MESH:D013927" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014859", + "label": "Drug", + "name": "warfarin" + }, + { + "id": "UniProt:Q9BQB6", + "label": "Protein", + "name": "Vitamin K epoxide reductase complex subunit 1" + }, + { + "id": "GO:0007596", + "label": "BiologicalProcess", + "name": "blood coagulation" + }, + { + "id": "GO:0072378", + "label": "BiologicalProcess", + "name": "blood coagulation, fibrin clot formation" + }, + { + "id": "MESH:D013927", + "label": "Disease", + "name": "Thrombosis" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1464/", + "https://go.drugbank.com/drugs/DB00682" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00682_MESH_D011655_2", + "disease": "Pulmonary thromboembolism", + "disease_mesh": "MESH:D011655", + "drug": "warfarin", + "drug_mesh": "MESH:D014859", + "drugbank": "DB:DB00682" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D014859", + "target": "UniProt:Q9BQB6" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9BQB6", + "target": "GO:0007596" + }, + { + "key": "correlated with", + "source": "GO:0007596", + "target": "GO:0072378" + }, + { + "key": "affects risk for", + "source": "GO:0072378", + "target": "MESH:D011655" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014859", + "label": "Drug", + "name": "warfarin" + }, + { + "id": "UniProt:Q9BQB6", + "label": "Protein", + "name": "Vitamin K epoxide reductase complex subunit 1" + }, + { + "id": "GO:0007596", + "label": "BiologicalProcess", + "name": "blood coagulation" + }, + { + "id": "GO:0072378", + "label": "BiologicalProcess", + "name": "blood coagulation, fibrin clot formation" + }, + { + "id": "MESH:D011655", + "label": "Disease", + "name": "Pulmonary thromboembolism" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1464/", + "https://go.drugbank.com/drugs/DB00682" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00013_MESH_D011655_1", + "disease": "Pulmonary thromboembolism", + "disease_mesh": "MESH:D011655", + "drug": "urokinase", + "drug_mesh": "MESH:D014568", + "drugbank": "DB:DB00013" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D014568", + "target": "UniProt:P00747" + }, + { + "key": "positively regulates", + "source": "UniProt:P00747", + "target": "GO:0042730" + }, + { + "key": "negatively correlated with", + "source": "GO:0042730", + "target": "MESH:D011655" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014568", + "label": "Drug", + "name": "urokinase" + }, + { + "id": "UniProt:P00747", + "label": "Protein", + "name": "Plasminogen" + }, + { + "id": "GO:0042730", + "label": "BiologicalProcess", + "name": "fibrinolysis" + }, + { + "id": "MESH:D011655", + "label": "Disease", + "name": "Pulmonary thromboembolism" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201420/", + "https://go.drugbank.com/drugs/DB00013" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB08162_MESH_D020301_1", + "disease": "Spasm of cerebral arteries", + "disease_mesh": "MESH:D020301", + "drug": "fasudil", + "drug_mesh": "MESH:C049347", + "drugbank": "DB:DB08162" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C049347", + "target": "DB:DB04707" + }, + { + "key": "decreases activity of", + "source": "DB:DB04707", + "target": "UniProt:Q13464" + }, + { + "key": "positively regulates", + "source": "UniProt:Q13464", + "target": "GO:0014829" + }, + { + "key": "positively correlated with", + "source": "GO:0014829", + "target": "MESH:D020301" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C049347", + "label": "Drug", + "name": "fasudil" + }, + { + "id": "DB:DB04707", + "label": "ChemicalSubstance", + "name": "Hydroxyfasudil" + }, + { + "id": "UniProt:Q13464", + "label": "Protein", + "name": "Rho-associated protein kinase 1" + }, + { + "id": "GO:0014829", + "label": "BiologicalProcess", + "name": "vascular associated smooth muscle contraction" + }, + { + "id": "MESH:D020301", + "label": "Disease", + "name": "Spasm of cerebral arteries" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Fasudil", + "https://en.wikipedia.org/wiki/Rho_kinase_inhibitor", + "https://go.drugbank.com/drugs/DB04707#BE0001016" + ] + }, + { + "comment": "Tipiracil may also play its anti-neoplastic role indirectly when admnistered in combination with Trifluridine (DB:DB00432). In this case, tipiracil will prevent trifluridine breakdown, thus increasing its bioavailability and boosting its systemiic presence (https://en.wikipedia.org/wiki/Trifluridine/tipiracil).", + "directed": true, + "graph": { + "_id": "DB09343_MESH_D003110_1", + "disease": "Malignant tumor of colon", + "disease_mesh": "MESH:D003110", + "drug": "tipiracil", + "drug_mesh": "MESH:C000613754", + "drugbank": "DB:DB09343" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C000613754", + "target": "UniProt:P19971" + }, + { + "key": "positively regulates", + "source": "UniProt:P19971", + "target": "GO:0001525" + }, + { + "key": "positively correlated with", + "source": "GO:0001525", + "target": "MESH:D003110" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C000613754", + "label": "Drug", + "name": "tipiracil" + }, + { + "id": "UniProt:P19971", + "label": "Protein", + "name": "Thymidine phosphorylase" + }, + { + "id": "GO:0001525", + "label": "BiologicalProcess", + "name": "angiogenesis" + }, + { + "id": "MESH:D003110", + "label": "Disease", + "name": "Malignant tumor of colon" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09343" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09517_MESH_D018798_1", + "disease": "Iron deficiency anemia", + "disease_mesh": "MESH:D018798", + "drug": "ferrous gluconate", + "drug_mesh": "MESH:C011819", + "drugbank": "DB:DB09517" + }, + "links": [ + { + "key": "increases abundance of", + "source": "MESH:C011819", + "target": "CHEBI:18248" + }, + { + "key": "correlated with", + "source": "CHEBI:18248", + "target": "GO:0055072" + }, + { + "key": "negatively correlated with", + "source": "GO:0055072", + "target": "MESH:D018798" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C011819", + "label": "Drug", + "name": "ferrous gluconate" + }, + { + "id": "CHEBI:18248", + "label": "ChemicalSubstance", + "name": "iron atom" + }, + { + "id": "GO:0055072", + "label": "BiologicalProcess", + "name": "iron ion homeostasis" + }, + { + "id": "MESH:D018798", + "label": "Disease", + "name": "Iron deficiency anemia" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Iron(II)_gluconate" + ] + }, + { + "comment": "The drug has no anti-parkinson activity per se. It is admnistered in combination with levodopa to prevent levodopa degradation to dopamine in extracerebral tissue, thereby decreasing the peripheral side effects of levodopa.", + "directed": true, + "graph": { + "_id": "DB00190_MESH_D010300_1", + "disease": "Parkinson's disease", + "disease_mesh": "MESH:D010300", + "drug": "carbidopa", + "drug_mesh": "MESH:D002230", + "drugbank": "DB:DB00190" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D002230", + "target": "UniProt:P20711" + }, + { + "key": "positively regulates", + "source": "UniProt:P20711", + "target": "GO:1903184" + }, + { + "key": "positively correlated with", + "source": "GO:1903184", + "target": "HP:0002017" + }, + { + "key": "manifestation of", + "source": "HP:0002017", + "target": "MESH:D010300" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002230", + "label": "Drug", + "name": "carbidopa" + }, + { + "id": "UniProt:P20711", + "label": "Protein", + "name": "Aromatic-L-amino-acid decarboxylase" + }, + { + "id": "GO:1903184", + "label": "BiologicalProcess", + "name": "L-dopa metabolic process" + }, + { + "id": "HP:0002017", + "label": "PhenotypicFeature", + "name": "Nausea and vomiting" + }, + { + "id": "MESH:D010300", + "label": "Disease", + "name": "Parkinson's disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00190", + "https://www.ebmconsult.com/articles/carbidopa-levodopa-parkinson-disease", + "https://en.wikipedia.org/wiki/L-DOPA#Medical_use", + "https://en.wikipedia.org/wiki/Aromatic_L-amino_acid_decarboxylase_inhibitor", + "https://en.wikipedia.org/wiki/Carbidopa/levodopa#Mechanism_of_action" + ] + }, + { + "comment": "The drug has no anti-parkinson activity per se. It is admnistered in combination with levodopa to prevent levodopa degradation to dopamine in extracerebral tissue, thereby decreasing the peripheral side effects of levodopa.", + "directed": true, + "graph": { + "_id": "DB00190_MESH_D020734_1", + "disease": "Parkinsonism", + "disease_mesh": "MESH:D020734", + "drug": "carbidopa", + "drug_mesh": "MESH:D002230", + "drugbank": "DB:DB00190" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D002230", + "target": "UniProt:P20711" + }, + { + "key": "positively regulates", + "source": "UniProt:P20711", + "target": "GO:1903184" + }, + { + "key": "correlated with", + "source": "GO:1903184", + "target": "HP:0002017" + }, + { + "key": "manifestation of", + "source": "HP:0002017", + "target": "MESH:D020734" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002230", + "label": "Drug", + "name": "carbidopa" + }, + { + "id": "UniProt:P20711", + "label": "Protein", + "name": "Aromatic-L-amino-acid decarboxylase" + }, + { + "id": "GO:1903184", + "label": "BiologicalProcess", + "name": "L-dopa metabolic process" + }, + { + "id": "HP:0002017", + "label": "PhenotypicFeature", + "name": "Nausea and vomiting" + }, + { + "id": "MESH:D020734", + "label": "Disease", + "name": "Parkinsonism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00190", + "https://www.ebmconsult.com/articles/carbidopa-levodopa-parkinson-disease", + "https://en.wikipedia.org/wiki/L-DOPA#Medical_use", + "https://en.wikipedia.org/wiki/Aromatic_L-amino_acid_decarboxylase_inhibitor", + "https://en.wikipedia.org/wiki/Carbidopa/levodopa#Mechanism_of_action" + ] + }, + { + "comment": "The drug has no anti-parkinson activity per se. It is admnistered in combination with levodopa to prevent levodopa degradation to dopamine in extracerebral tissue, thereby decreasing the peripheral side effects of levodopa.", + "directed": true, + "graph": { + "_id": "DB00190_MESH_D010301_1", + "disease": "Postencephalitic parkinsonism", + "disease_mesh": "MESH:D010301", + "drug": "carbidopa", + "drug_mesh": "MESH:D002230", + "drugbank": "DB:DB00190" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D002230", + "target": "UniProt:P20711" + }, + { + "key": "positively regulates", + "source": "UniProt:P20711", + "target": "GO:1903184" + }, + { + "key": "correlated with", + "source": "GO:1903184", + "target": "HP:0002017" + }, + { + "key": "manifestation of", + "source": "HP:0002017", + "target": "MESH:D010301" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002230", + "label": "Drug", + "name": "carbidopa" + }, + { + "id": "UniProt:P20711", + "label": "Protein", + "name": "Aromatic-L-amino-acid decarboxylase" + }, + { + "id": "GO:1903184", + "label": "BiologicalProcess", + "name": "L-dopa metabolic process" + }, + { + "id": "HP:0002017", + "label": "PhenotypicFeature", + "name": "Nausea and vomiting" + }, + { + "id": "MESH:D010301", + "label": "Disease", + "name": "Postencephalitic parkinsonism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00190", + "https://www.ebmconsult.com/articles/carbidopa-levodopa-parkinson-disease", + "https://en.wikipedia.org/wiki/L-DOPA#Medical_use", + "https://en.wikipedia.org/wiki/Aromatic_L-amino_acid_decarboxylase_inhibitor", + "https://en.wikipedia.org/wiki/Carbidopa/levodopa#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00010_MESH_D004393_1", + "disease": "Pituitary dwarfism", + "disease_mesh": "MESH:D004393", + "drug": "sermorelin", + "drug_mesh": "MESH:D017337", + "drugbank": "DB:DB00010" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D017337", + "target": "UniProt:Q02643" + }, + { + "key": "increases activity of", + "source": "UniProt:Q02643", + "target": "UniProt:P01241" + }, + { + "key": "participates in", + "source": "UniProt:P01241", + "target": "GO:0060396" + }, + { + "key": "increases activity of", + "source": "GO:0060396", + "target": "UniProt:P05019" + }, + { + "key": "positively regulates", + "source": "UniProt:P05019", + "target": "GO:0035264" + }, + { + "key": "negatively correlated with", + "source": "GO:0035264", + "target": "MESH:D004393" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D017337", + "label": "Drug", + "name": "Sermorelin" + }, + { + "id": "UniProt:Q02643", + "label": "Protein", + "name": "Growth hormone-releasing hormone receptor" + }, + { + "id": "UniProt:P01241", + "label": "Protein", + "name": "Somatotropin" + }, + { + "id": "GO:0060396", + "label": "BiologicalProcess", + "name": "Growth hormone receptor signaling pathway" + }, + { + "id": "UniProt:P05019", + "label": "Protein", + "name": "Insulin-like growth factor I" + }, + { + "id": "GO:0035264", + "label": "BiologicalProcess", + "name": "Multicellular organism growth" + }, + { + "id": "MESH:D004393", + "label": "Disease", + "name": "Pituitary dwarfism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00010#BE0000625" + ] + }, + { + "comments": "Withdrawn. Procyclidine acts by blocking central cholinergic receptors, and thus balancing cholinergic and dopaminergic activity in the basal ganglia.", + "directed": true, + "graph": { + "_id": "DB00387_MESH_D001480_1", + "disease": "Extrapyramidal disease", + "disease_mesh": "MESH:D001480", + "drug": "procyclidine", + "drug_mesh": "MESH:D011352", + "drugbank": "DB:DB00387" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D011352", + "target": "UniProt:P11229" + }, + { + "key": "negatively regulates", + "source": "MESH:D011352", + "target": "UniProt:P08172" + }, + { + "key": "negatively regulates", + "source": "MESH:D011352", + "target": "UniProt:P08173" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08172", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08173", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "HP:0100022" + }, + { + "key": "manifestation of", + "source": "HP:0100022", + "target": "HP:0001300" + }, + { + "key": "manifestation of", + "source": "HP:0001300", + "target": "MESH:D001480" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011352", + "label": "Drug", + "name": "Procyclidine" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "UniProt:P08172", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M2" + }, + { + "id": "UniProt:P08173", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M4" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "Synaptic transmission, cholinergic" + }, + { + "id": "HP:0100022", + "label": "PhenotypicFeature", + "name": "Abnormality of movement" + }, + { + "id": "HP:0001300", + "label": "PhenotypicFeature", + "name": "Parkinsonism" + }, + { + "id": "MESH:D001480", + "label": "Disease", + "name": "Extrapyramidal disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00387#BE0000560", + "https://en.wikipedia.org/wiki/Extrapyramidal_symptoms" + ] + }, + { + "comments": "Withdrawn. Procyclidine acts by blocking central cholinergic receptors, and thus balancing cholinergic and dopaminergic activity in the basal ganglia.", + "directed": true, + "graph": { + "_id": "DB00387_MESH_D020734_1", + "disease": "Parkinsonism", + "disease_mesh": "MESH:D020734", + "drug": "procyclidine", + "drug_mesh": "MESH:D011352", + "drugbank": "DB:DB00387" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D011352", + "target": "UniProt:P11229" + }, + { + "key": "negatively regulates", + "source": "MESH:D011352", + "target": "UniProt:P08172" + }, + { + "key": "negatively regulates", + "source": "MESH:D011352", + "target": "UniProt:P08173" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08172", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08173", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "HP:0100022" + }, + { + "key": "manifestation of", + "source": "HP:0100022", + "target": "HP:0001300" + }, + { + "key": "manifestation of", + "source": "HP:0001300", + "target": "MESH:D020734" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011352", + "label": "Drug", + "name": "Procyclidine" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "UniProt:P08172", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M2" + }, + { + "id": "UniProt:P08173", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M4" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "Synaptic transmission, cholinergic" + }, + { + "id": "HP:0100022", + "label": "PhenotypicFeature", + "name": "Abnormality of movement" + }, + { + "id": "HP:0001300", + "label": "PhenotypicFeature", + "name": "Parkinsonism" + }, + { + "id": "MESH:D020734", + "label": "Disease", + "name": "Parkinsonism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00387#BE0000560" + ] + }, + { + "comments": "Withdrawn. Procyclidine acts by blocking central cholinergic receptors, and thus balancing cholinergic and dopaminergic activity in the basal ganglia.", + "directed": true, + "graph": { + "_id": "DB00387_MESH_D010300_1", + "disease": "Parkinson's disease", + "disease_mesh": "MESH:D010300", + "drug": "procyclidine", + "drug_mesh": "MESH:D011352", + "drugbank": "DB:DB00387" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D011352", + "target": "UniProt:P11229" + }, + { + "key": "negatively regulates", + "source": "MESH:D011352", + "target": "UniProt:P08172" + }, + { + "key": "negatively regulates", + "source": "MESH:D011352", + "target": "UniProt:P08173" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08172", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08173", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "HP:0100022" + }, + { + "key": "manifestation of", + "source": "HP:0100022", + "target": "HP:0001300" + }, + { + "key": "manifestation of", + "source": "HP:0001300", + "target": "MESH:D010300" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011352", + "label": "Drug", + "name": "Procyclidine" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "UniProt:P08172", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M2" + }, + { + "id": "UniProt:P08173", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M4" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "Synaptic transmission, cholinergic" + }, + { + "id": "HP:0100022", + "label": "PhenotypicFeature", + "name": "Abnormality of movement" + }, + { + "id": "HP:0001300", + "label": "PhenotypicFeature", + "name": "Parkinsonism" + }, + { + "id": "MESH:D010300", + "label": "Disease", + "name": "Parkinson's disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00387#BE0000560" + ] + }, + { + "comments": "Withdrawn. Procyclidine acts by blocking central cholinergic receptors, and thus balancing cholinergic and dopaminergic activity in the basal ganglia.", + "directed": true, + "graph": { + "_id": "DB00387_MESH_D010301_1", + "disease": "Postencephalitic parkinsonism", + "disease_mesh": "MESH:D010301", + "drug": "procyclidine", + "drug_mesh": "MESH:D011352", + "drugbank": "DB:DB00387" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D011352", + "target": "UniProt:P11229" + }, + { + "key": "negatively regulates", + "source": "MESH:D011352", + "target": "UniProt:P08172" + }, + { + "key": "negatively regulates", + "source": "MESH:D011352", + "target": "UniProt:P08173" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08172", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08173", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "HP:0100022" + }, + { + "key": "manifestation of", + "source": "HP:0100022", + "target": "HP:0001300" + }, + { + "key": "manifestation of", + "source": "HP:0001300", + "target": "MESH:D010301" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011352", + "label": "Drug", + "name": "Procyclidine" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "UniProt:P08172", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M2" + }, + { + "id": "UniProt:P08173", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M4" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "Synaptic transmission, cholinergic" + }, + { + "id": "HP:0100022", + "label": "PhenotypicFeature", + "name": "Abnormality of movement" + }, + { + "id": "HP:0001300", + "label": "PhenotypicFeature", + "name": "Parkinsonism" + }, + { + "id": "MESH:D010301", + "label": "Disease", + "name": "Postencephalitic parkinsonism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00387#BE0000560" + ] + }, + { + "comment": "Withdrawn. Etretinate was taken off the market in Canada in 1996 and America in 1998 due to the risk of birth defects. Etretinate is now used to treat T-cell lymphomas.", + "directed": true, + "graph": { + "_id": "DB00926_MESH_D011565_1", + "disease": "Psoriasis", + "disease_mesh": "MESH:D011565", + "drug": "etretinate", + "drug_mesh": "MESH:D005050", + "drugbank": "DB:DB00926" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D005050", + "target": "UniProt:P10276" + }, + { + "key": "increases activity of", + "source": "MESH:D005050", + "target": "UniProt:P10826" + }, + { + "key": "increases activity of", + "source": "MESH:D005050", + "target": "UniProt:P19793" + }, + { + "key": "increases activity of", + "source": "MESH:D005050", + "target": "UniProt:P48443" + }, + { + "key": "negatively regulates", + "source": "UniProt:P10276", + "target": "GO:0031424" + }, + { + "key": "negatively regulates", + "source": "UniProt:P19793", + "target": "GO:0031424" + }, + { + "key": "negatively regulates", + "source": "UniProt:P10826", + "target": "GO:0031424" + }, + { + "key": "negatively 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"drugbank": "DB:DB03209" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D010094", + "target": "InterPro:IPR023031" + }, + { + "key": "increases abundance of", + "source": "InterPro:IPR023031", + "target": "MESH:D005472" + }, + { + "key": "positively correlated with", + "source": "MESH:D005472", + "target": "GO:0097237" + }, + { + "key": "located in", + "source": "GO:0097237", + "target": "UBERON:0001199" + }, + { + "key": "location of", + "source": "UBERON:0001199", + "target": "MESH:D013274" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010094", + "label": "Drug", + "name": "Oteracil" + }, + { + "id": "InterPro:IPR023031", + "label": "GeneFamily", + "name": "Orotate phosphoribosyltransferase" + }, + { + "id": "MESH:D005472", + "label": "ChemicalSubstance", + "name": "Fluorouracil" + }, + { + "id": "GO:0097237", + "label": "BiologicalProcess", + "name": "Cellular response to toxic substance" + }, + { + "id": "UBERON:0001199", + "label": "GrossAnatomicalStructure", + "name": "Mucosa of stomach" + }, + { + "id": "MESH:D013274", + "label": "Disease", + "name": "Stomach neoplasms" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB03209", + "https://en.wikipedia.org/wiki/Tegafur/gimeracil/oteracil" + ] + }, + { + "comment": "Fluoxymesterone is a synthetic androgen, or male hormone, similar to testosterone", + "directed": true, + "graph": { + "_id": "DB01185_MESH_D011628_3", + "disease": "Delayed puberty", + "disease_mesh": "MESH:D011628", + "drug": "Fluoxymesterone", + "drug_mesh": "MESH:D005474", + "drugbank": "DB:DB01185" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D005474", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0030521" + }, + { + "key": "positively correlated with", + "source": "GO:0030521", + "target": "GO:0045136" + }, + { + "key": "negatively correlated with", + "source": "GO:0045136", + "target": "MESH:D011628" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005474", + "label": "Drug", + "name": "Fluoxymesterone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0030521", + "label": "BiologicalProcess", + "name": "Androgen receptor signaling pathway" + }, + { + "id": "GO:0045136", + "label": "BiologicalProcess", + "name": "Development of secondary sexual characteristics" + }, + { + "id": "MESH:D011628", + "label": "Disease", + "name": "Delayed puberty" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01185", + "https://en.wikipedia.org/wiki/Fluoxymesterone", + "https://en.wikipedia.org/wiki/Androgen" + ] + }, + { + "comment": "Fluoxymesterone is a synthetic androgen, or male hormone, similar to testosterone", + "directed": true, + "graph": { + "_id": "DB01185_MESH_D007713_3", + "disease": "Klinefelter Syndrome", + "disease_mesh": "MESH:D007713", + "drug": "Fluoxymesterone", + "drug_mesh": "MESH:D005474", + "drugbank": "DB:DB01185" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D005474", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0030521" + }, + { + "key": "positively correlated with", + "source": "GO:0030521", + "target": "GO:0046544" + }, + { + "key": "negatively correlated with", + "source": "GO:0046544", + "target": "MESH:D007713" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005474", + "label": "Drug", + "name": "Fluoxymesterone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0030521", + "label": "BiologicalProcess", + "name": "Androgen receptor signaling pathway" + }, + { + "id": "GO:0046544", + "label": "BiologicalProcess", + "name": "Development of secondary male sexual characteristics" + }, + { + "id": "MESH:D007713", + "label": "Disease", + "name": "Klinefelter Syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01185", + "https://en.wikipedia.org/wiki/Fluoxymesterone", + "https://en.wikipedia.org/wiki/Androgen" + ] + }, + { + "comment": "Fluoxymesterone is a synthetic androgen, or male hormone, similar to testosterone", + "directed": true, + "graph": { + "_id": "DB01185_MESH_D003456_3", + "disease": "Cryptorchidism", + "disease_mesh": "MESH:D003456", + "drug": "Fluoxymesterone", + "drug_mesh": "MESH:D005474", + "drugbank": "DB:DB01185" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D005474", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0030521" + }, + { + "key": "positively regulates", + "source": "GO:0030521", + "target": "GO:0007283" + }, + { + "key": "manifestation of", + "source": "GO:0007283", + "target": "MESH:D003456" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005474", + "label": "Drug", + "name": "Fluoxymesterone" + }, 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No clear mechanism of action is found in literature evidences.", + "directed": true, + "graph": { + "_id": "DB01185_MESH_D005058_3", + "disease": "Eunuchism", + "disease_mesh": "MESH:D005058", + "drug": "Fluoxymesterone", + "drug_mesh": "MESH:D005474", + "drugbank": "DB:DB01185" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D005474", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0030521" + }, + { + "key": "positively correlated with", + "source": "GO:0030521", + "target": "GO:0046544" + }, + { + "key": "negatively correlated with", + "source": "GO:0046544", + "target": "MESH:D005058" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005474", + "label": "Drug", + "name": "Fluoxymesterone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0030521", + "label": "BiologicalProcess", + "name": "Androgen receptor signaling 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with hydrocortisone", + "directed": true, + "graph": { + "_id": "DB00687_MESH_D000224_2", + "disease": "Addison disease", + "disease_mesh": "MESH:D000224", + "drug": "Fludrocortisone acetate", + "drug_mesh": "MESH:C034635", + "drugbank": "DB:DB00687" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C034635", + "target": "MESH:D005438" + }, + { + "key": "increases activity of", + "source": "MESH:D005438", + "target": "UniProt:P08235" + }, + { + "key": "positively correlated with", + "source": "UniProt:P08235", + "target": "GO:0070294" + }, + { + "key": "increases abundance of", + "source": "GO:0070294", + "target": "MESH:D012964" + }, + { + "key": "negatively correlated with", + "source": "MESH:D012964", + "target": "HP:0002615" + }, + { + "key": "positively correlated with", + "source": "UniProt:P08235", + "target": "GO:0036359" + }, + { + "key": "decreases abundance of", + "source": "GO:0036359", + "target": "MESH:D011188" + }, + { + "key": "contributes to", + 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true, + "graph": { + "_id": "DB00687_MESH_D000312_2", + "disease": "Congenital adrenal hyperplasia", + "disease_mesh": "MESH:D000312", + "drug": "Fludrocortisone acetate", + "drug_mesh": "MESH:C034635", + "drugbank": "DB:DB00687" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C034635", + "target": "MESH:D005438" + }, + { + "key": "increases activity of", + "source": "MESH:D005438", + "target": "UniProt:P08235" + }, + { + "key": "positively correlated with", + "source": "UniProt:P08235", + "target": "MESH:D000450" + }, + { + "key": "negatively correlated with", + "source": "MESH:D000450", + "target": "MESH:D000312" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C034635", + "label": "Drug", + "name": "Fludrocortisone acetate" + }, + { + "id": "MESH:D005438", + "label": "ChemicalSubstance", + "name": "Fludrocortisone" + }, + { + "id": "UniProt:P08235", + "label": "Protein", + "name": "Mineralocorticoid receptor" + }, + { + "id": "MESH:D000450", + "label": "ChemicalSubstance", + "name": "Aldosterone" + }, + { + "id": "MESH:D000312", + "label": "Disease", + "name": "Congenital adrenal hyperplasia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00687" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01021_MESH_D006973_4", + "disease": "Hypertension", + "disease_mesh": "MESH:D006973", + "drug": "Trichlormethiazide", + "drug_mesh": "MESH:D014237", + "drugbank": "DB:DB01021" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D014237", + "target": "UniProt:P55017" + }, + { + "key": "increases activity of", + "source": "UniProt:P55017", + "target": "GO:0070294" + }, + { + "key": "increases abundance of", + "source": "GO:0070294", + "target": "MESH:D012964" + }, + { + "key": "positively correlated with", + "source": "MESH:D012964", + "target": "MESH:D006973" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014237", + "label": "Drug", + "name": "Trichlormethiazide" + }, + { + "id": "UniProt:P55017", + "label": "Protein", + "name": "Solute carrier family 12 member 3" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "Renal sodium ion absorption" + }, + { + "id": "MESH:D012964", + "label": "ChemicalSubstance", + "name": "Sodium" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertension" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01021", + "https://en.wikipedia.org/wiki/Thiazide", + "https://en.wikipedia.org/wiki/Trichlormethiazide" + ] + }, + { + "comment": "Gemtuzumab ozogamicin is a monoclonal anti-CD33 antibody", + "directed": true, + "graph": { + "_id": "DB00056_MESH_D015470_3", + "disease": "Acute myeloid leukemia, disease", + "disease_mesh": "MESH:D015470", + "drug": "Gemtuzumab ozogamicin", + "drug_mesh": "MESH:D000079982", + "drugbank": "DB:DB00056" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D000079982", + "target": "MESH:D000080084" + }, + { + "key": "positively 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"Disease", + "name": "Acute myeloid leukemia, disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00056", + "http://chemocare.com/chemotherapy/drug-info/gemtuzumab-ozogamicin.aspx" + ] + }, + { + "comment": "Fluoxymesterone is a synthetic androgen, or male hormone, similar to testosterone. No clear mechanism of action is found in literature evidences.", + "directed": true, + "graph": { + "_id": "DB01185_MESH_D009634_2", + "disease": "Noonan syndrome", + "disease_mesh": "MESH:D009634", + "drug": "Fluoxymesterone", + "drug_mesh": "MESH:D005474", + "drugbank": "DB:DB01185" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D005474", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0030521" + }, + { + "key": "positively correlated with", + "source": "GO:0030521", + "target": "GO:0046544" + }, + { + "key": "negatively correlated with", + "source": "GO:0046544", + "target": "MESH:D009634" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005474", + "label": "Drug", + "name": "Fluoxymesterone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0030521", + "label": "BiologicalProcess", + "name": "Androgen receptor signaling pathway" + }, + { + "id": "GO:0046544", + "label": "BiologicalProcess", + "name": "Development of secondary male sexual characteristics" + }, + { + "id": "MESH:D009634", + "label": "Disease", + "name": "Noonan syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01185", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1049925/" + ] + }, + { + "comment": "In the DrugCentral serine is indicated for Pulmonary tuberculosis, however no literature evidences found about the mechanism of action of serine treating pulmonary tuberculosis.", + "directed": true, + "graph": { + "_id": "DB00133_MESH_D014397_1", + "disease": "Pulmonary tuberculosis", + "disease_mesh": "MESH:D014397", + "drug": "serine", + "drug_mesh": "MESH:D012694", + "drugbank": "DB:DB00133" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D012694", + "target": "MESH:D014397" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D012694", + "label": "Drug", + "name": "Serine" + }, + { + "id": "MESH:D014397", + "label": "Disease", + "name": "Pulmonary tuberculosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00133" + ] + }, + { + "comment": "In the DrugCentral serine is indicated for open-angle glaucoma, however no literature evidences found about the mechanism of action of serine treating open-angle glaucoma.", + "directed": true, + "graph": { + "_id": "DB00133_MESH_D005902_1", + "disease": "Open-angle glaucoma", + "disease_mesh": "MESH:D005902", + "drug": "serine", + "drug_mesh": "MESH:D012694", + "drugbank": "DB:DB00133" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D012694", + "target": "MESH:D005902" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D012694", + "label": "Drug", + "name": "Serine" + }, + { + "id": "MESH:D005902", + "label": "Disease", + "name": "Open-angle glaucoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00133" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00348_MESH_D020176_1", + "disease": "Tyrosinemia type I", + "disease_mesh": "MESH:D020176", + "drug": "nitisinone", + "drug_mesh": "MESH:C077073", + "drugbank": "DB:DB00348" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C077073", + "target": "UniProt:P32754" + }, + { + "key": "positively regulates", + "source": "UniProt:P32754", + "target": "GO:0006572" + }, + { + "key": "produces", + "source": "GO:0006572", + "target": "MESH:C105171" + }, + { + "key": "contributes to", + "source": "MESH:C105171", + "target": "HP:0001394" + }, + { + "key": "manifestation of", + "source": "HP:0001394", + "target": "MESH:D020176" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C077073", + "label": "Drug", + "name": "Nitisinone" + }, + { + "id": "UniProt:P32754", + "label": "Protein", + "name": "4-hydroxyphenylpyruvate dioxygenase" + }, + { + "id": "GO:0006572", + "label": "BiologicalProcess", + "name": "Tyrosine catabolic process" + }, + { + "id": "MESH:C105171", + "label": "ChemicalSubstance", + "name": "Fumarylacetoacetate" + }, + { + "id": "HP:0001394", + "label": "PhenotypicFeature", + "name": "Cirrhosis" + }, + { + "id": "MESH:D020176", + "label": "Disease", + "name": "Tyrosinemia type I" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Tyrosinemia_type_I", + "https://go.drugbank.com/drugs/DB00348#BE0000455" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00375_MESH_D006937_1", + "disease": "Hypercholesterolemia", + "disease_mesh": "MESH:D006937", + "drug": "colestipol", + "drug_mesh": "MESH:D003084", + "drugbank": "DB:DB00375" + }, + "links": [ + { + "key": "decreases abundance of", + "source": "MESH:D003084", + "target": "MESH:D001647" + }, + { + "key": "derives from", + "source": "MESH:D001647", + "target": "MESH:D002784" + }, + { + "key": "positively correlated with", + "source": "MESH:D002784", + "target": "MESH:D006937" + }, + { + "key": "increases activity of", + "source": "MESH:D003084", + "target": "UniProt:P01130" + }, + { + "key": "positively regulates", + "source": "UniProt:P01130", + "target": "GO:0034383" + }, + { + "key": "decreases abundance of", + "source": "GO:0034383", + "target": "MESH:D008077" + }, + { + "key": "positively correlated with", + "source": "MESH:D008077", + "target": "MESH:D006937" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003084", + "label": "Drug", + "name": "Colestipol" + }, + { + "id": "MESH:D001647", + "label": "ChemicalSubstance", + "name": "Bile Acids and Salts" + }, + { + "id": "MESH:D002784", + "label": "ChemicalSubstance", + "name": "Cholesterol" + }, + { + "id": "UniProt:P01130", + "label": "Protein", + "name": "Low-density lipoprotein receptor" + }, + { + "id": "GO:0034383", + "label": "BiologicalProcess", + "name": "Low-density lipoprotein particle clearance" + }, + { + "id": "MESH:D008077", + "label": "ChemicalSubstance", + "name": "Lipoproteins, LDL" + }, + { + "id": "MESH:D006937", + "label": "Disease", + "name": "Hypercholesterolemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00375#BE0004809" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00375_MESH_D006949_1", + "disease": "Hyperlipidemia", + "disease_mesh": "MESH:D006949", + "drug": "colestipol", + "drug_mesh": "MESH:D003084", + "drugbank": "DB:DB00375" + }, + "links": [ + { + "key": "decreases abundance of", + "source": "MESH:D003084", + "target": "MESH:D001647" + }, + { + "key": "derives from", + "source": "MESH:D001647", + "target": "MESH:D002784" + }, + { + "key": "positively correlated with", + "source": "MESH:D002784", + "target": "MESH:D006949" + }, + { + "key": "increases activity of", + "source": "MESH:D003084", + "target": "UniProt:P01130" + }, + { + "key": "positively regulates", + "source": "UniProt:P01130", + "target": "GO:0034383" + }, + { + "key": "decreases abundance of", + "source": "GO:0034383", + "target": "MESH:D008077" + }, + { + "key": "positively correlated with", + "source": "MESH:D008077", + "target": "MESH:D006949" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003084", + "label": "Drug", + "name": "Colestipol" + }, + { + "id": "MESH:D001647", + "label": "ChemicalSubstance", + "name": "Bile Acids and Salts" + }, + { + "id": "MESH:D002784", + "label": "ChemicalSubstance", + "name": "Cholesterol" + }, + { + "id": "UniProt:P01130", + "label": "Protein", + "name": "Low-density lipoprotein receptor" + }, + { + "id": "GO:0034383", + "label": "BiologicalProcess", + "name": "Low-density lipoprotein particle clearance" + }, + { + "id": "MESH:D008077", + "label": "ChemicalSubstance", + "name": "Lipoproteins, LDL" + }, + { + "id": "MESH:D006949", + "label": "Disease", + "name": "Hyperlipidemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00375#BE0004809" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00629_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MESH:D006973", + "drug": "guanabenz", + "drug_mesh": "MESH:D006143", + "drugbank": "DB:DB00629" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D006143", + "target": "UniProt:P08913" + }, + { + "key": "positively correlated with", + "source": "UniProt:P08913", + "target": "GO:0004938" + }, + { + "key": "negatively regulates", + "source": "GO:0004938", + "target": "GO:0061533" + }, + { + "key": "positively regulates", + "source": "GO:0061533", + "target": "HP:0000822" + }, + { + "key": "positively correlated with", + "source": "HP:0000822", + "target": "MESH:D006973" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D006143", + "label": "Drug", + "name": "Guanabenz" + }, + { + "id": "UniProt:P08913", + "label": "Protein", + "name": "Alpha-2A adrenergic receptor" + }, + { + "id": "GO:0004938", + "label": "BiologicalProcess", + "name": "Alpha2-adrenergic receptor activity" + }, + { + "id": "GO:0061533", + "label": "BiologicalProcess", + "name": "Norepinephrine secretion, neurotransmission" + }, + { + "id": "HP:0000822", + "label": "PhenotypicFeature", + "name": "Blood pressure" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00629" + ] + }, + { + "comment": "Tamoxifen is a selective estrogen receptor modulator used to treat estrogen receptor positive breast cancer.", + "directed": true, + "graph": { + "_id": "DB00675_MESH_D018270_1", + "disease": "Infiltrating duct carcinoma of breast", + "disease_mesh": "MESH:D018270", + "drug": "tamoxifen", + "drug_mesh": "MESH:D013629", + "drugbank": "DB:DB00675" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D013629", + "target": "UniProt:P03372" + }, + { + "key": "participates in", + "source": "UniProt:P03372", + "target": "GO:0030284" + }, + { + "key": "positively regulates", + "source": "GO:0030284", + "target": "GO:0008283" + }, + { + "key": "decreases activity of", + "source": "MESH:D013629", + "target": "UniProt:Q92731" + }, + { + "key": "participates in", + "source": "UniProt:Q92731", + "target": "GO:0030284" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MESH:D018270" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013629", + "label": "Drug", + "name": "Tamoxifen" + }, + { + "id": "UniProt:P03372", + "label": "Protein", + "name": "Estrogen receptor" + }, + { + "id": "GO:0030284", + "label": "MolecularActivity", + "name": "Estrogen receptor activity" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "Cell population proliferation" + }, + { + "id": "UniProt:Q92731", + "label": "Protein", + "name": "Estrogen receptor beta" + }, + { + "id": "MESH:D018270", + "label": "Disease", + "name": "Infiltrating duct carcinoma of breast" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00675#BE0000123" + ] + }, + { + "comment": "Contraindicated", + "directed": true, + "graph": { + "_id": "DB00717_MESH_D000152_1", + "disease": "Acne vulgaris", + "disease_mesh": "MESH:D000152", + "drug": "norethisterone", + "drug_mesh": "MESH:D009640", + "drugbank": "DB:DB00717" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D009640", + "target": "UniProt:P10275" + }, + { + "key": "molecularly interacts with", + "source": "UniProt:P10275", + "target": "MESH:D000728" + }, + { + "key": "contributes to", + "source": "MESH:D000728", + "target": "MESH:D000152" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009640", + "label": "Drug", + "name": "Norethisterone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "MESH:D000728", + "label": "ChemicalSubstance", + "name": "Androgens" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00717", + "https://en.wikipedia.org/wiki/Norethisterone#Side_effects" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00717_MESH_D004715_1", + "disease": "Endometriosis", + "disease_mesh": "MESH:D004715", + "drug": "norethindrone acetate", + "drug_mesh": "MESH:C024262", + "drugbank": "DB:DB00717" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C024262", + "target": "UniProt:P06401" + }, + { + "key": "molecularly interacts with", + "source": "UniProt:P06401", + "target": "MESH:D011374" + }, + { + "key": "negatively regulates", + "source": "MESH:D011374", + "target": "GO:0008283" + }, + { + "key": "located in", + "source": "GO:0008283", + "target": "UBERON:0001295" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001295", + "target": "MESH:D004715" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C024262", + "label": "Drug", + "name": "Norethindrone acetate" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "MESH:D011374", + "label": "ChemicalSubstance", + "name": "Progesterone" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "Cell population proliferation" + }, + { + "id": "UBERON:0001295", + "label": "GrossAnatomicalStructure", + "name": "Endometrium" + }, + { + "id": "MESH:D004715", + "label": "Disease", + "name": "Endometriosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00717" + ] + }, + { + "comment": "Only combination of estradiol and norethindrone is used for the treatment of atrophic vaginitis. Please refer to this curation DB00783_MESH_D059268_1 for MoA.", + "directed": true, + "graph": { + "_id": "DB00717_MESH_D059268_1", + "disease": "Atrophic vaginitis", + "disease_mesh": "MESH:D059268", + "drug": "norethindrone acetate", + "drug_mesh": "MESH:D009640", + "drugbank": "DB:DB00717" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D009640", + "target": "MESH:D059268" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009640", + "label": "Drug", + "name": "Norethisterone" + }, + { + "id": "MESH:D059268", + "label": "Disease", + "name": "Atrophic vaginitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00717" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00717_MESH_D008595_2", + "disease": "Menorrhagia", + "disease_mesh": "MESH:D008595", + "drug": "norethisterone", + "drug_mesh": "MESH:D009640", + "drugbank": "DB:DB00717" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D009640", + "target": "UniProt:P06401" + }, + { + "key": "negatively regulates", + "source": "UniProt:P06401", + "target": "GO:0050673" + }, + { + "key": "located in", + "source": "GO:0050673", + "target": "UBERON:0001295" + }, + { + "key": "correlated with", + "source": "UBERON:0001295", + "target": "HP:0030126" + }, + { + "key": "causes", + "source": "HP:0030126", + "target": "MESH:D008595" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009640", + "label": "Drug", + "name": "Norethisterone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "UBERON:0001295", + "label": "GrossAnatomicalStructure", + "name": "Endometrium" + }, + { + "id": "HP:0030126", + "label": "PhenotypicFeature", + "name": "Abnormality of the endometrium" + }, + { + "id": "GO:0050673", + "label": "BiologicalProcess", + "name": "Epithelial cell proliferation" + }, + { + "id": "MESH:D008595", + "label": "Disease", + "name": "Menorrhagia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00717#BE0000557", + "https://pubmed.ncbi.nlm.nih.gov/8671392/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00717_MESH_D008796_1", + "disease": "Dysfunctional uterine bleeding", + "disease_mesh": "MESH:D008796", + "drug": "norethisterone", + "drug_mesh": "MESH:D009640", + "drugbank": "DB:DB00717" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D009640", + "target": "UniProt:P06401" + }, + { + "key": "negatively regulates", + "source": "UniProt:P06401", + "target": "GO:0050673" + }, + { + "key": "located in", + "source": "GO:0050673", + "target": "UBERON:0001295" + }, + { + "key": "correlated with", + "source": "UBERON:0001295", + "target": "HP:0030126" + }, + { + "key": "causes", + "source": "HP:0030126", + "target": "MESH:D008796" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009640", + "label": "Drug", + "name": "Norethisterone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "UBERON:0001295", + "label": "GrossAnatomicalStructure", + "name": "Endometrium" + }, + { + "id": "HP:0030126", + "label": "PhenotypicFeature", + "name": "Abnormality of the endometrium" + }, + { + "id": "GO:0050673", + "label": "BiologicalProcess", + "name": "Epithelial cell proliferation" + }, + { + "id": "MESH:D008796", + "label": "Disease", + "name": "Dysfunctional uterine bleeding" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00717#BE0000557", + "https://pubmed.ncbi.nlm.nih.gov/8671392/" + ] + }, + { + "comment": "Only combination of Estradiol and norethindrone is used for the treatment of menopausal flushing. Please refer to this curation DB00783_MESH_D019584_1 for MoA.", + "directed": true, + "graph": { + "_id": "DB00717_MESH_D019584_1", + "disease": "Menopausal flushing", + "disease_mesh": "MESH:D019584", + "drug": "norethisterone", + "drug_mesh": "MESH:D009640", + "drugbank": "DB:DB00717" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D009640", + "target": "MESH:D019584" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009640", + "label": "Drug", + "name": "Norethisterone" + }, + { + "id": "MESH:D019584", + "label": "Disease", + "name": "Menopausal flushing" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00717#BE0000557" + ] + }, + { + "comment": "Only combination of estradiol and norethindrone is used for the treatment of postmenopausal osteoporosis. Please refer to this curation DB00783_MESH_D015663_1 for MoA.", + "directed": true, + "graph": { + "_id": "DB00717_MESH_D015663_1", + "disease": "Postmenopausal osteoporosis", + "disease_mesh": "MESH:D015663", + "drug": "norethisterone", + "drug_mesh": "MESH:D009640", + "drugbank": "DB:DB00717" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D009640", + "target": "MESH:D015663" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009640", + "label": "Drug", + "name": "Norethisterone" + }, + { + "id": "MESH:D015663", + "label": "Disease", + "name": "Postmenopausal osteoporosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00717#BE0000557" + ] + }, + { + "comment": "It is not approved for use in the United States, but is approved in other Western countries such as Canada, the UK and Australia.", + "directed": true, + "graph": { + "_id": "DB01171_MESH_D003866_1", + "disease": "Depressive disorder", + "disease_mesh": "MESH:D003866", + "drug": 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"directed": true, + "graph": { + "_id": "DB06643_MESH_D015663_1", + "disease": "Postmenopausal osteoporosis", + "disease_mesh": "MESH:D015663", + "drug": "denosumab", + "drug_mesh": "MESH:D000069448", + "drugbank": "DB:DB06643" + }, + "links": [ + { + "key": "disrupts", + "source": "MESH:D000069448", + "target": "UniProt:O14788" + }, + { + "key": "positively regulates", + "source": "UniProt:O14788", + "target": "GO:0030316" + }, + { + "key": "positively correlated with", + "source": "GO:0030316", + "target": "GO:0045453" + }, + { + "key": "positively correlated with", + "source": "GO:0045453", + "target": "MESH:D015663" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069448", + "label": "Drug", + "name": "denosumab" + }, + { + "id": "UniProt:O14788", + "label": "Protein", + "name": "Tumor necrosis factor ligand superfamily member 11" + }, + { + "id": "GO:0030316", + "label": "BiologicalProcess", + "name": "osteoclast differentiation" + }, + { + "id": "GO:0045453", + 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known to causes many side effects; therefore it's not recommended.", + "directed": true, + "graph": { + "_id": "DB00536_MESH_D015624_1", + "disease": "Eaton-Lambert syndrome", + "disease_mesh": "MESH:D015624", + "drug": "guanidine", + "drug_mesh": "MESH:D019791", + "drugbank": "DB:DB00536" + }, + "links": [ + { + "key": "disrupts", + "source": "MESH:D019791", + "target": "Pfam:PF03520" + }, + { + "key": "positively regulates", + "source": "Pfam:PF03520", + "target": "GO:0007274" + }, + { + "key": "affects risk for", + "source": "GO:0007274", + "target": "HP:0003690" + }, + { + "key": "manifestation of", + "source": "HP:0003690", + "target": "MESH:D015624" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D019791", + "label": "Drug", + "name": "guanidine" + }, + { + "id": "Pfam:PF03520", + "label": "GeneFamily", + "name": "KCNQ voltage-gated potassium channel" + }, + { + "id": "GO:0007274", + "label": "BiologicalProcess", + "name": "neuromuscular synaptic transmission" + }, 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The first two metabolites bind to estrogen receptors, primarily ER\u03b1 receptors, and have estrogenic effects on bone. There appears to have no IDs for the metabolites of tibolone in DrugBank, ChEBI or MESH.", + "directed": true, + "graph": { + "_id": "DB09070_MESH_D015663_1", + "disease": "Postmenopausal osteoporosis", + "disease_mesh": "MESH:D015663", + "drug": "tibolone", + "drug_mesh": "MESH:C027385", + "drugbank": "DB:DB09070" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C027385", + "target": "UniProt:P03372" + }, + { + "key": "positively regulates", + "source": "UniProt:P03372", + "target": "GO:0030520" + }, + { + "key": "negatively correlated with", + "source": "GO:0030520", + "target": "GO:0045453" + }, + { + "key": "positively correlated with", + "source": "GO:0045453", + "target": "MESH:D015663" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C027385", + "label": "Drug", + "name": "tibolone" + }, + { + "id": "UniProt:P03372", + "label": "Protein", + "name": "Estrogen receptor" + }, + { + "id": "GO:0030520", + "label": "BiologicalProcess", + "name": 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"https://go.drugbank.com/drugs/DB00791#BE0004796", + "https://pubchem.ncbi.nlm.nih.gov/compound/Uracil-mustard" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00934_MESH_D003866_1", + "disease": "Depressive Disorder", + "disease_mesh": "MESH:D003866", + "drug": "Maprotiline", + "drug_mesh": "MESH:D008376", + "drugbank": "DB:DB00934" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D008376", + "target": "UniProt:P23975" + }, + { + "key": "participates in", + "source": "UniProt:P23975", + "target": "GO:0051620" + }, + { + "key": "located in", + "source": "GO:0051620", + "target": "UBERON:0027221" + }, + { + "key": "participates in", + "source": "UBERON:0027221", + "target": "HP:0000716" + }, + { + "key": "correlated with", + "source": "HP:0000716", + "target": "MESH:D003866" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008376", + "label": "Drug", + "name": "Maprotiline" + }, + { + "id": "UniProt:P23975", + "label": "Protein", + 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"name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06292#BE0004753" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB08932_MESH_D000081029_1", + "disease": "Pulmonary arterial hypertension", + "disease_mesh": "MESH:D000081029", + "drug": "macitentan", + "drug_mesh": "MESH:C533860", + "drugbank": "DB:DB08932" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C533860", + "target": "UniProt:P25101" + }, + { + "key": "decreases activity of", + "source": "MESH:C533860", + "target": "UniProt:P24530" + }, + { + "key": "capable of", + "source": "UniProt:P25101", + "target": "GO:0042310" + }, + { + "key": "capable of", + "source": "UniProt:P24530", + "target": "GO:0042310" + }, + { + "key": "has phenotype", + "source": "GO:0042310", + "target": "HP:0000822" + }, + { + "key": "manifestation of", + "source": "HP:0000822", + "target": "MESH:D000081029" + } + ], + "multigraph": true, + "nodes": [ + { + "id": 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"DB06767_MESH_D003139_1", + "disease": "Common cold", + "disease_mesh": "MESH:D003139", + "drug": "ammonium chloride", + "drug_mesh": "MESH:D000643", + "drugbank": "DB:DB06767" + }, + "links": [ + { + "key": "interacts with", + "source": "MESH:D000643", + "target": "UBERON:0000410" + }, + { + "key": "correlated with", + "source": "UBERON:0000410", + "target": "GO:0070254" + }, + { + "key": "exacerbates", + "source": "GO:0070254", + "target": "HP:0031245" + }, + { + "key": "treats", + "source": "HP:0031245", + "target": "MESH:D003139" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000643", + "label": "Drug", + "name": "ammonium chloride" + }, + { + "id": "UBERON:0000410", + "label": "GrossAnatomicalStructure", + "name": "bronchial mucosa" + }, + { + "id": "GO:0070254", + "label": "BiologicalProcess", + "name": "Mucus secretion" + }, + { + "id": "HP:0031245", + "label": "PhenotypicFeature", + "name": "Productive cough" + }, + { + "id": "MESH:D003139", + "label": "Disease", + "name": "Common cold" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06767", + "https://pubchem.ncbi.nlm.nih.gov/compound/Ammonium-chloride", + "https://mavyn.in/webapp/pdf/googledrive/nigel-slater-vgw/ammonium-chloride-uses-in-cough-syrup-b03c77" + ] + }, + { + "comment": "Contraindicated. As per drugbank sodium fluoride is being used to prevent dental caries and tooth decay. The literature evidence suggests that sodium fluoride causes vitamin defeciency", + "directed": true, + "graph": { + "_id": "DB09325_MESH_D001361_1", + "disease": "Vitamin deficiency", + "disease_mesh": "MESH:D001361", + "drug": "sodium fluoride", + "drug_mesh": "MESH:D012969", + "drugbank": "DB:DB09325" + }, + "links": [ + { + "key": "contraindicated for", + "source": "MESH:D012969", + "target": "MESH:D001361" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D012969", + "label": "Drug", + "name": "sodium fluoride" + }, + { + "id": "MESH:D001361", + "label": "Disease", + "name": "Vitamin deficiency" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09325", + "https://www.sciencedirect.com/science/article/abs/pii/S0736574815300630" + ] + }, + { + "comment": "The exact mechanism of artemisinin action is not completely understood, It was proposed to generate free-radicals due to its unique structure endoperoxide bridge. The MoA proposed here is the one of the drug target identified for artemisinin mode of action with solid experimental evidence.", + "directed": true, + "graph": { + "_id": "DB13132_MESH_D016778_1", + "disease": "Falciparum malaria", + "disease_mesh": "MESH:D016778", + "drug": "artemisinin", + "drug_mesh": "MESH:C031327", + "drugbank": "DB:DB13132" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C031327", + "target": "CHEBI:207229" + }, + { + "key": "decreases activity of", + "source": "CHEBI:207229", + "target": "UniProt:Q8I3Z5" + }, + { + "key": "part of", + "source": "UniProt:Q8I3Z5", + "target": "taxonomy:5833" + }, + { + "key": "causes", + "source": "taxonomy:5833", + "target": "MESH:D016778" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C031327", + "label": "Drug", + "name": "artemisinin" + }, + { + "id": "CHEBI:207229", + "label": "ChemicalSubstance", + "name": "dihydroartemisinin" + }, + { + "id": "UniProt:Q8I3Z5", + "label": "Protein", + "name": "Translationally controlled tumor protein (TCTP) homolog" + }, + { + "id": "taxonomy:5833", + "label": "OrganismTaxon", + "name": "Plasmodium falciparum" + }, + { + "id": "MESH:D016778", + "label": "Disease", + "name": "Falciparum malaria" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB13132", + "https://link.springer.com/article/10.1007%2Fs00709-015-0805-6", + "https://en.wikipedia.org/wiki/Artemisinin" + ] + }, + { + "comment": "gabapentin enacarbil is a prodrug of gabapentin, it's physiological effects are the same as gabapentin", + "directed": true, + "graph": { + "_id": "DB08872_MESH_D051474_2", + "disease": "Postherpetic neuralgia", + "disease_mesh": "MESH:D051474", + "drug": "gabapentin enacarbil", + "drug_mesh": "MESH:C493250", + "drugbank": "DB:DB08872" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C493250", + "target": "CHEBI:42797" + }, + { + "key": "decreases activity of", + "source": "CHEBI:42797", + "target": "UniProt:Q9NY47" + 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"BiologicalProcess", + "name": "Neurotransmitter release" + }, + { + "id": "HP:0012531", + "label": "PhenotypicFeature", + "name": "Pain" + }, + { + "id": "MESH:D051474", + "label": "Disease", + "name": "Postherpetic neuralgia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08872#BE0000691", + "https://paindr.com/comparing-gabapentin-to-pregabalin-for-neuropathic-pain", + "https://bjanaesthesia.org/article/S0007-0912(18)30234-4/pdf" + ] + }, + { + "comment": "gabapentin enacarbil is a prodrug of gabapentin, it's physiological effects are the same as gabapentin", + "directed": true, + "graph": { + "_id": "DB08872_MESH_D012148_2", + "disease": "Restless legs", + "disease_mesh": "MESH:D012148", + "drug": "gabapentin enacarbil", + "drug_mesh": "MESH:C493250", + "drugbank": "DB:DB08872" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C493250", + "target": "CHEBI:42797" + }, + { + "key": "decreases activity of", + "source": "CHEBI:42797", + "target": "UniProt:Q9NY47" + }, + { + "key": "located in", + "source": "UniProt:Q9NY47", + "target": "GO:0098793" + }, + { + "key": "participates in", + "source": "GO:0098793", + "target": "GO:0070509" + }, + { + "key": "participates in", + "source": "GO:0070509", + "target": "GO:0007269" + }, + { + "key": "participates in", + "source": "GO:0007269", + "target": "HP:0012514" + }, + { + "key": "correlated with", + "source": "HP:0012514", + "target": "MESH:D012148" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C493250", + "label": "Drug", + "name": "Gabapentin enacarbil" + }, + { + "id": "CHEBI:42797", + "label": "ChemicalSubstance", + "name": "Gabapentin" + }, + { + "id": "UniProt:Q9NY47", + "label": "Protein", + "name": "Voltage-dependent calcium channel subunit alpha-2/delta-2" + }, + { + "id": "GO:0098793", + "label": "CellularComponent", + "name": "Presynapse" + }, + { + "id": "GO:0070509", + "label": "BiologicalProcess", + "name": "Calcium ion import" + }, + { + "id": "GO:0007269", + "label": "BiologicalProcess", + "name": "Neurotransmitter release" + }, + { + "id": "HP:0012514", + "label": "PhenotypicFeature", + "name": "Lower limb pain" + }, + { + "id": "MESH:D012148", + "label": "Disease", + "name": "Restless legs" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08872#BE0000691", + "https://bjanaesthesia.org/article/S0007-0912(18)30234-4/pdf" + ] + }, + { + "comment": "Progesterone is often prescribed in combination with estradiol component for atrophic vaginitis.", + "directed": true, + "graph": { + "_id": "DB00396_MESH_D059268_1", + "disease": "Atrophic vaginitis", + "disease_mesh": "MESH:D059268", + "drug": "Progesterone", + "drug_mesh": "MESH:D011374", + "drugbank": "DB:DB00396" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D011374", + "target": "UniProt:P06401" + }, + { + "key": "participates in", + "source": "UniProt:P06401", + "target": "GO:0050847" + }, + { + "key": "treats", + "source": "GO:0050847", + "target": "MESH:D059268" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011374", + "label": "Drug", + "name": "Progesterone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "GO:0050847", + "label": "BiologicalProcess", + "name": "Progesterone receptor signaling pathway" + }, + { + "id": "MESH:D059268", + "label": "Disease", + "name": "Atrophic vaginitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00396#BE0000557", + "https://www.sciencedirect.com/science/article/abs/pii/S0378512296010870" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00396_MESH_D008796_1", + "disease": "Dysfunctional uterine bleeding", + "disease_mesh": "MESH:D008796", + "drug": "Progesterone", + "drug_mesh": "MESH:D011374", + "drugbank": "DB:DB00396" + }, + "links": [ + { + "key": "increases activity of", + "source": "DB:DB00396", + "target": "UniProt:P06401" + }, + { + "key": "participates in", + "source": "UniProt:P06401", + "target": "GO:0050847" + }, + { + "key": "negatively regulates", + "source": "GO:0050847", + "target": "GO:0050673" + }, + { + "key": "located in", + "source": "GO:0050673", + "target": "UBERON:0001295" + }, + { + "key": "correlated with", + "source": "UBERON:0001295", + "target": "HP:0030126" + }, + { + "key": "causes", + "source": "HP:0030126", + "target": "MESH:D008796" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB00396", + "label": "Drug", + "name": "Progesterone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "GO:0050847", + "label": "BiologicalProcess", + "name": "Progesterone receptor signaling pathway" + }, + { + "id": "UBERON:0001295", + "label": "GrossAnatomicalStructure", + "name": "Endometrium" + }, + { + "id": "HP:0030126", + "label": "PhenotypicFeature", + "name": "Abnormality of the endometrium" + }, + { + "id": "GO:0050673", + "label": "BiologicalProcess", + "name": "Epithelial cell proliferation" + }, + { + "id": "MESH:D008796", + "label": "Disease", + "name": "Dysfunctional uterine bleeding" + } + ], + "reference": [ + "https://pubmed.ncbi.nlm.nih.gov/8671392/", + "https://go.drugbank.com/drugs/DB00396#BE0000557" + ] + }, + { + "comment": "Progesterone is prescribed in combination with estradiol as a hormonemtherapy during menopause to prevent menopausal flushing and in this case estradiol is the acive drug, while progesterone is added for the protection of the endometrium. Please refer to this curation DB00783_MESH_D019584_1 for MoA.", + "directed": true, + "graph": { + "_id": "DB00396_MESH_D019584_1", + "disease": "Menopausal flushing", + "disease_mesh": "MESH:D019584", + "drug": "Progesterone", + "drug_mesh": "MESH:D011374", + "drugbank": "DB:DB00396" + }, + "links": [ + { + "key": "treats", + "source": "DB:DB00396", + "target": "MESH:D019584" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB00396", + "label": "Drug", + "name": "Progesterone" + }, + { + "id": "MESH:D019584", + "label": "Disease", + "name": "Menopausal flushing" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00396#BE0000557" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00396_MESH_D004715_1", + "disease": "Endometriosis", + "disease_mesh": "MESH:D004715", + "drug": "Progesterone", + "drug_mesh": "MESH:D011374", + "drugbank": "DB:DB00396" + }, + "links": [ + { + "key": "increases activity of", + "source": "DB:DB00396", + "target": "UniProt:P06401" + }, + { + "key": "participates in", + "source": "UniProt:P06401", + "target": "GO:0050847" + }, + { + "key": "negatively regulates", + "source": "GO:0050847", + "target": "GO:0050673" + }, + { + "key": "located in", + "source": "GO:0050673", + "target": "UBERON:0001295" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001295", + "target": "MESH:D004715" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB00396", + "label": "Drug", + "name": "Progesterone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "GO:0050847", + "label": "BiologicalProcess", + "name": "Progesterone receptor signaling pathway" + }, + { + "id": "UBERON:0001295", + "label": "GrossAnatomicalStructure", + "name": "Endometrium" + }, + { + "id": "GO:0050673", + "label": "BiologicalProcess", + "name": "Epithelial cell proliferation" + }, + { + "id": "MESH:D004715", + "label": "Disease", + "name": "Endometriosis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Endometriosis", + "https://go.drugbank.com/drugs/DB00396#BE0000557" + ] + }, + { + "comment": "Progesterone is usually prescribed in combination with estradiol for a treatment of postmenopausal osteoporosis. Please refer to this curation DB00783_MESH_D015663_1 for MoA.", + "directed": true, + "graph": { + "_id": "DB00396_MESH_D015663_1", + "disease": "Postmenopausal osteoporosis", + "disease_mesh": "MESH:D015663", + "drug": "Progesterone", + "drug_mesh": "MESH:D011374", + "drugbank": "DB:DB00396" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D011374", + "target": "MESH:D015663" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011374", + "label": "Drug", + "name": "Progesterone" + }, + { + "id": "MESH:D015663", + "label": "Disease", + "name": "Postmenopausal osteoporosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00396#BE0000557", + "https://pubmed.ncbi.nlm.nih.gov/29962257/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00396_MESH_D016889_1", + "disease": "Endometrial carcinoma", + "disease_mesh": "MESH:D016889", + "drug": "Progesterone", + "drug_mesh": "MESH:D011374", + "drugbank": "DB:DB00396" + }, + "links": [ + { + "key": "increases activity of", + "source": "DB:DB00396", + "target": "UniProt:P06401" + }, + { + "key": "participates in", + "source": "UniProt:P06401", + "target": "GO:0050847" + }, + { + "key": "negatively regulates", + "source": "GO:0050847", + "target": "GO:0008283" + }, + { + "key": "located in", + "source": "GO:0008283", + "target": "UBERON:0001295" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001295", + "target": "MESH:D016889" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB00396", + "label": "Drug", + "name": "Progesterone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "GO:0050847", + "label": "BiologicalProcess", + "name": "Progesterone receptor signaling pathway" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "Cell population proliferation" + }, + { + "id": "UBERON:0001295", + "label": "GrossAnatomicalStructure", + "name": "Endometrium" + }, + { + "id": "MESH:D016889", + "label": "Disease", + "name": "Endometrial carcinoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00396#BE0000557", + "https://en.wikipedia.org/wiki/Endometrial_cancer" + ] + }, + { + "comment": "Zafirlukast is an oral leukotriene receptor antagonist (LTRA) for the maintenance treatment of asthma, often used in conjunction with an inhaled steroid and/or long-acting bronchodilator.", + "directed": true, + "graph": { + "_id": "DB00549_MESH_D001249_1", + "disease": "Asthma", + "disease_mesh": "MESH:D001249", + "drug": "zafirlukast", + "drug_mesh": "MESH:C062735", + "drugbank": "DB:DB00549" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C062735", + "target": "UniProt:Q9Y271" + }, + { + "key": "participates in", + "source": "UniProt:Q9Y271", + "target": "GO:0001631" + }, + { + "key": "positively regulates", + "source": "GO:0001631", + "target": "GO:0006939" + }, + { + "key": "located in", + "source": "GO:0006939", + "target": "UBERON:0002185" + }, + { + "key": "location of", + "source": "UBERON:0002185", + "target": "MESH:D001249" + }, + { + "key": "participates in", + "source": "GO:0001631", + "target": "GO:0006954" + }, + { + "key": "causes", + "source": "GO:0006954", + "target": "MESH:D001249" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C062735", + "label": "Drug", + "name": "Zafirlukast" + }, + { + "id": "UniProt:Q9Y271", + "label": "Protein", + "name": "Cysteinyl leukotriene receptor 1" + }, + { + "id": "GO:0001631", + "label": "MolecularActivity", + "name": "Cysteinyl leukotriene receptor activity" + }, + { + "id": "GO:0006939", + "label": "BiologicalProcess", + "name": "Smooth muscle contraction" + }, + { + "id": "UBERON:0002185", + "label": "GrossAnatomicalStructure", + "name": "Bronchus" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "Inflammatory response" + }, + { + "id": "MESH:D001249", + "label": "Disease", + "name": "Asthma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00549" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00940_MESH_D014549_1", + "disease": "Urinary incontinence", + "disease_mesh": "MESH:D014549", + "drug": "methanthelinium", + "drug_mesh": "MESH:C084588", + "drugbank": "DB:DB00940" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C084588", + "target": "InterPro:IPR000995" + }, + { + "key": "negatively regulates", + "source": "InterPro:IPR000995", + "target": "GO:0014832" + }, + { + "key": "positively correlated with", + "source": "GO:0014832", + "target": "GO:0060073" + }, + { + "key": "positively correlated with", + "source": "GO:0060073", + "target": "MESH:D014549" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C084588", + "label": "Drug", + "name": "Methanthelinium" + }, + { + "id": "InterPro:IPR000995", + "label": "GeneFamily", + "name": "Muscarinic acetylcholine receptor family" + }, + { + "id": "GO:0014832", + "label": "BiologicalProcess", + "name": "Urinary bladder smooth muscle contraction" + }, + { + "id": "GO:0060073", + "label": "BiologicalProcess", + "name": "Micturition" + }, + { + "id": "MESH:D014549", + "label": "Disease", + "name": "Urinary incontinence" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00940", + "https://en.wikipedia.org/wiki/Urinary_incontinence" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00940_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MESH:D010437", + "drug": "methanthelinium", + "drug_mesh": "MESH:C084588", + "drugbank": "DB:DB00940" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C084588", + "target": "InterPro:IPR000995" + }, + { + "key": "participates in", + "source": "InterPro:IPR000995", + "target": "GO:0001699" + }, + { + "key": "increases abundance of", + "source": "GO:0001699", + "target": "MESH:D005744" + }, + { + "key": "contributes to", + "source": "MESH:D005744", + "target": "MESH:D010437" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C084588", + "label": "Drug", + "name": "Methanthelinium" + }, + { + "id": "InterPro:IPR000995", + "label": "GeneFamily", + "name": "Muscarinic acetylcholine receptor family" + }, + { + "id": "GO:0001699", + "label": "BiologicalProcess", + "name": "Acetylcholine-induced gastric acid secretion" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric acid" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00940", + "https://en.wikipedia.org/wiki/Methantheline" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00940_MESH_D013276_1", + "disease": "Gastric ulcer", + "disease_mesh": "MESH:D013276", + "drug": "methanthelinium", + "drug_mesh": "MESH:C084588", + "drugbank": "DB:DB00940" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C084588", + "target": "InterPro:IPR000995" + }, + { + "key": "participates in", + "source": "InterPro:IPR000995", + "target": "GO:0001699" + }, + { + "key": "increases abundance of", + "source": "GO:0001699", + "target": "MESH:D005744" + }, + { + "key": "contributes to", + "source": "MESH:D005744", + "target": "MESH:D013276" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C084588", + "label": "Drug", + "name": "Methanthelinium" + }, + { + "id": "InterPro:IPR000995", + "label": "GeneFamily", + "name": "Muscarinic acetylcholine receptor family" + }, + { + "id": "GO:0001699", + "label": "BiologicalProcess", + "name": "Acetylcholine-induced gastric acid secretion" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric acid" + }, + { + "id": "MESH:D013276", + "label": "Disease", + "name": "Gastric ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00940", + "https://en.wikipedia.org/wiki/Methantheline" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01257_MESH_D006457_1", + "disease": "Paroxysmal nocturnal hemoglobinuria", + "disease_mesh": "MESH:D006457", + "drug": "eculizumab", + "drug_mesh": "MESH:C481642", + "drugbank": "DB:DB01257" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C481642", + "target": "UniProt:P01031" + }, + { + "key": "participates in", + "source": "UniProt:P01031", + "target": "GO:0006956" + }, + { + "key": "contributes to", + "source": "GO:0006956", + "target": "HP:0001878" + }, + { + "key": "manifestation of", + "source": "HP:0001878", + "target": "MESH:D006457" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C481642", + "label": "Drug", + "name": "Eculizumab" + }, + { + "id": "UniProt:P01031", + "label": "Protein", + "name": "Complement C5" + }, + { + "id": "GO:0006956", + "label": "BiologicalProcess", + "name": "Complement activation" + }, + { + "id": "HP:0001878", + "label": "PhenotypicFeature", + "name": "Hemolytic anemia" + }, + { + "id": "MESH:D006457", + "label": "Disease", + "name": "Paroxysmal nocturnal hemoglobinuria" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Paroxysmal_nocturnal_hemoglobinuria", + "https://go.drugbank.com/drugs/DB01257#BE0000855" + ] + }, + { + "comment": "No evidence found for MoA of citric acid treating pain.", + "directed": true, + "graph": { + "_id": "DB04272_MESH_D010146_1", + "disease": "Pain", + "disease_mesh": "MESH:D010146", + "drug": "citric acid", + "drug_mesh": "MESH:D019343", + "drugbank": "DB:DB04272" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D019343", + "target": "MESH:D010146" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D019343", + "label": "Drug", + "name": "Citric acid" + }, + { + "id": "MESH:D010146", + "label": "Disease", + "name": "Pain" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04272" + ] + }, + { + "comment": "No evidence found for MoA of citric acid treating headache disorders.", + "directed": true, + "graph": { + "_id": "DB04272_MESH_D020773_1", + "disease": "Headache disorder", + "disease_mesh": "MESH:D020773", + "drug": "citric acid", + "drug_mesh": "MESH:D019343", + "drugbank": "DB:DB04272" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D019343", + "target": "MESH:D020773" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D019343", + "label": "Drug", + "name": "Citric acid" + }, + { + "id": "MESH:D020773", + "label": "Disease", + "name": "Headache disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04272" + ] + }, + { + "comment": "No evidence found for MoA of citric acid treating indigestion.", + "directed": true, + "graph": { + "_id": "DB04272_MESH_D004415_1", + "disease": "Indigestion", + "disease_mesh": "MESH:D004415", + "drug": "citric acid", + "drug_mesh": "MESH:D019343", + "drugbank": "DB:DB04272" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D019343", + "target": "MESH:D004415" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D019343", + "label": 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It has never been approved in the US.", + "directed": true, + "graph": { + "_id": "DB01283_MESH_D010003_1", + "disease": "Osteoarthritis", + "disease_mesh": "MESH:D010003", + "drug": "lumiracoxib", + "drug_mesh": "MESH:C473384", + "drugbank": "DB:DB01283" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C473384", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "MESH:D011453" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0002829" + }, + { + "key": "positively correlated with", + "source": "MESH:D011453", + "target": "HP:0001386" + }, + { + "key": "manifestation of", + "source": "HP:0001386", + "target": "MESH:D010003" + }, + { + "key": "manifestation of", + "source": "HP:0002829", + "target": "MESH:D010003" + } + ], + "multigraph": true, + 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+ "graph": { + "_id": "DB09075_MESH_D004617_1", + "disease": "Embolism", + "disease_mesh": "MESH:D004617", + "drug": "edoxaban", + "drug_mesh": "MESH:C552171", + "drugbank": "DB:DB09075" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C552171", + "target": "UniProt:P00742" + }, + { + "key": "positively regulates", + "source": "UniProt:P00742", + "target": "GO:0072378" + }, + { + "key": "has output", + "source": "GO:0072378", + "target": "UBERON:0010210" + }, + { + "key": "occurs in", + "source": "UBERON:0010210", + "target": "MESH:D004617" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C552171", + "label": "Drug", + "name": "Edoxaban" + }, + { + "id": "UniProt:P00742", + "label": "Protein", + "name": "Coagulation factor X" + }, + { + "id": "GO:0072378", + "label": "BiologicalProcess", + "name": "Blood coagulation, fibrin clot formation" + }, + { + "id": "UBERON:0010210", + "label": "GrossAnatomicalStructure", + "name": "Blood clot" + }, + { + "id": "MESH:D004617", + "label": "Disease", + "name": "Embolism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09075" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09512_MESH_D003963_1", + "disease": "Diaper rash", + "disease_mesh": "MESH:D003963", + "drug": "dimethicone", + "drug_mesh": "MESH:C501844", + "drugbank": "DB:DB09512" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:C501844", + "target": "GO:0061436" + }, + { + "key": "negatively correlated with", + "source": "GO:0061436", + "target": "MESH:D003963" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C501844", + "label": "Drug", + "name": "Dimethicone" + }, + { + "id": "GO:0061436", + "label": "BiologicalProcess", + "name": "Establishment of skin barrier" + }, + { + "id": "MESH:D003963", + "label": "Disease", + "name": "Diaper rash" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB11074" + ] + }, + { + "comment": "Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin).", + "directed": true, + "graph": { + "_id": "DB09335_MESH_D014552_1", + "disease": "Urinary tract infectious disease", + "disease_mesh": "MESH:D014552", + "drug": "alatrofloxacin", + "drug_mesh": "MESH:C106856", + "drugbank": "DB:DB09335" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C106856", + "target": "DB:DB00685" + }, + { + "key": "negatively regulates", + "source": "DB:DB00685", + "target": "InterPro:IPR035516" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR035516", + "target": "GO:0006265" + }, + { + "key": "in taxon", + "source": "GO:0006265", + "target": "taxonomy:562" + }, + { + "key": "causes", + "source": "taxonomy:562", + "target": "MESH:D014552" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C106856", + "label": "Drug", + "name": "alatrofloxacin" + }, + { + "id": "DB:DB00685", + "label": "ChemicalSubstance", + "name": "Trovafloxacin" + }, + { + "id": "InterPro:IPR035516", + "label": "GeneFamily", + "name": "DNA gyrase/topoisomerase IV, subunit A, C-terminal" + }, + { + "id": "GO:0006265", + "label": "BiologicalProcess", + "name": "DNA topological change" + }, + { + "id": "taxonomy:562", + "label": "OrganismTaxon", + "name": "Escherichia coli" + }, + { + "id": "MESH:D014552", + "label": "Disease", + "name": "Urinary tract infectious disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09335", + "https://go.drugbank.com/drugs/DB00685", + "https://en.wikipedia.org/wiki/Trovafloxacin" + ] + }, + { + "comment": "Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin).", + "directed": true, + "graph": { + "_id": "DB09335_MESH_D059413_1", + "disease": "Infectious disease of abdomen", + "disease_mesh": "MESH:D059413", + "drug": "alatrofloxacin", + "drug_mesh": "MESH:C106856", + "drugbank": "DB:DB09335" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C106856", + "target": "DB:DB00685" + }, + { + "key": "negatively regulates", + "source": "DB:DB00685", + "target": "InterPro:IPR035516" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR035516", + "target": "GO:0006265" + }, + { + "key": "in taxon", + "source": "GO:0006265", + "target": "taxonomy:562" + }, + { + "key": "causes", + "source": "taxonomy:562", + "target": "MESH:D059413" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C106856", + "label": "Drug", + "name": "alatrofloxacin" + }, + { + "id": "DB:DB00685", + "label": "ChemicalSubstance", + "name": "Trovafloxacin" + }, + { + "id": "InterPro:IPR035516", + "label": "GeneFamily", + "name": "DNA gyrase/topoisomerase IV, subunit A, C-terminal" + }, + { + "id": "GO:0006265", + "label": "BiologicalProcess", + "name": "DNA topological change" + }, + { + "id": "taxonomy:562", + "label": "OrganismTaxon", + "name": "Escherichia coli" + }, + { + "id": "MESH:D059413", + "label": "Disease", + "name": "Infectious disease of abdomen" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09335", + "https://go.drugbank.com/drugs/DB00685", + "https://en.wikipedia.org/wiki/Trovafloxacin" + ] + }, + { + "comment": "Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin).", + "directed": true, + "graph": { + "_id": "DB09335_MESH_D061387_1", + "disease": "Chlamydial pneumonia", + "disease_mesh": "MESH:D061387", + "drug": "alatrofloxacin", + "drug_mesh": "MESH:C106856", + "drugbank": "DB:DB09335" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C106856", + "target": "DB:DB00685" + }, + { + "key": "negatively regulates", + "source": "DB:DB00685", + "target": "InterPro:IPR035516" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR035516", + "target": "GO:0006265" + }, + { + "key": "in taxon", + "source": "GO:0006265", + "target": "taxonomy:83558" + }, + { + "key": "causes", + "source": "taxonomy:83558", + "target": "MESH:D061387" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C106856", + "label": "Drug", + "name": "alatrofloxacin" + }, + { + "id": "DB:DB00685", + "label": "ChemicalSubstance", + "name": "Trovafloxacin" + }, + { + "id": "InterPro:IPR035516", + "label": "GeneFamily", + "name": "DNA gyrase/topoisomerase IV, subunit A, C-terminal" + }, + { + "id": "GO:0006265", + "label": "BiologicalProcess", + "name": "DNA topological change" + }, + { + "id": "taxonomy:83558", + "label": "OrganismTaxon", + "name": "Chlamydia pneumoniae" + }, + { + "id": "MESH:D061387", + "label": "Disease", + "name": "Chlamydial pneumonia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09335", + "https://go.drugbank.com/drugs/DB00685", + "https://en.wikipedia.org/wiki/Trovafloxacin" + ] + }, + { + "comment": "Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin).", + "directed": true, + "graph": { + "_id": "DB09335_MESH_D011018_1", + "disease": "Pneumonia due to Streptococcus", + "disease_mesh": "MESH:D011018", + "drug": "alatrofloxacin", + "drug_mesh": "MESH:C106856", + "drugbank": "DB:DB09335" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C106856", + "target": "DB:DB00685" + }, + { + "key": "negatively regulates", + "source": "DB:DB00685", + "target": "InterPro:IPR035516" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR035516", + "target": "GO:0006265" + }, + { + "key": "in taxon", + "source": "GO:0006265", + "target": "taxonomy:1313" + }, + { + "key": "causes", + "source": "taxonomy:1313", + "target": "MESH:D011018" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C106856", + "label": "Drug", + "name": "alatrofloxacin" + }, + { + "id": "DB:DB00685", + "label": "ChemicalSubstance", + "name": "Trovafloxacin" + }, + { + "id": "InterPro:IPR035516", + "label": "GeneFamily", + "name": "DNA gyrase/topoisomerase IV, subunit A, C-terminal" + }, + { + "id": "GO:0006265", + "label": "BiologicalProcess", + "name": "DNA topological change" + }, + { + "id": "taxonomy:1313", + "label": "OrganismTaxon", + "name": "Streptococcus pneumoniae" + }, + { + "id": "MESH:D011018", + "label": "Disease", + "name": "Pneumonia due to Streptococcus" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09335", + "https://go.drugbank.com/drugs/DB00685", + "https://en.wikipedia.org/wiki/Trovafloxacin" + ] + }, + { + "comment": "Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin).", + "directed": true, + "graph": { + "_id": "DB09335_MESH_D011023_2", + "disease": "Staphylococcal pneumonia", + "disease_mesh": "MESH:D011023", + "drug": "alatrofloxacin", + "drug_mesh": "MESH:C106856", + "drugbank": "DB:DB09335" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C106856", + "target": "DB:DB00685" + }, + { + "key": "negatively regulates", + "source": "DB:DB00685", + "target": "InterPro:IPR035516" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR035516", + "target": "GO:0006265" + }, + { + "key": "in taxon", + "source": "GO:0006265", + "target": "taxonomy:1280" + }, + { + "key": "causes", + "source": "taxonomy:1280", + "target": "MESH:D011023" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C106856", + "label": "Drug", + "name": "alatrofloxacin" + }, + { + "id": "DB:DB00685", + "label": "ChemicalSubstance", + "name": "Trovafloxacin" + }, + { + "id": "InterPro:IPR035516", + "label": "GeneFamily", + "name": "DNA gyrase/topoisomerase IV, subunit A, C-terminal" + }, + { + "id": "GO:0006265", + "label": "BiologicalProcess", + "name": "DNA topological change" + }, + { + "id": "taxonomy:1280", + "label": "OrganismTaxon", + "name": "Staphylococcus aureus" + }, + { + "id": "MESH:D011023", + "label": "Disease", + "name": "Staphylococcal pneumonia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09335", + "https://go.drugbank.com/drugs/DB00685", + "https://en.wikipedia.org/wiki/Trovafloxacin" + ] + }, + { + "comment": "Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin).", + "directed": true, + "graph": { + "_id": "DB09335_MESH_D011019_1", + "disease": "Pneumonia due to Mycoplasma pneumoniae", + "disease_mesh": "MESH:D011019", + "drug": "alatrofloxacin", + "drug_mesh": "MESH:C106856", + "drugbank": "DB:DB09335" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C106856", + "target": "DB:DB00685" + }, + { + "key": "negatively regulates", + "source": "DB:DB00685", + "target": "InterPro:IPR035516" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR035516", + "target": "GO:0006265" + }, + { + "key": "in taxon", + "source": "GO:0006265", + "target": "taxonomy:2104" + }, + { + "key": "causes", + "source": "taxonomy:2104", + "target": "MESH:D011019" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C106856", + "label": "Drug", + "name": "alatrofloxacin" + }, + { + "id": "DB:DB00685", + "label": "ChemicalSubstance", + "name": 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+ ] + }, + { + "directed": true, + "graph": { + "_id": "DB00985_MESH_D014839_1", + "disease": "Vomiting", + "disease_mesh": "MESH:D014839", + "drug": "dimenhydrinate", + "drug_mesh": "MESH:D004111", + "drugbank": "DB:DB00985" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D004111", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "MESH:D014839" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004111", + "label": "Drug", + "name": "dimenhydrinate" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "MESH:D014839", + "label": "Disease", + "name": "Vomiting" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00985" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00774_MESH_D004487_1", + "disease": "Edema", + "disease_mesh": "MESH:D004487", + "drug": "hydroflumethiazide", + "drug_mesh": "MESH:D006857", + "drugbank": "DB:DB00774" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D006857", + "target": "UniProt:P55017" + }, + { + "key": "positively regulates", + "source": "UniProt:P55017", + "target": "GO:0070294" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": "GO:0003092", + "target": "MESH:D004487" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D006857", + "label": "Drug", + "name": "hydroflumethiazide" + }, + { + "id": "UniProt:P55017", + "label": "Protein", + "name": "Solute carrier family 12 member 3" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "renal sodium ion absorption" + }, + { + "id": "GO:0003092", + 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The exact mechanism is yet not fully understood.", + "directed": true, + "graph": { + "_id": "DB00774_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MESH:D006973", + "drug": "hydroflumethiazide", + "drug_mesh": "MESH:D006857", + "drugbank": "DB:DB00774" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D006857", + "target": "UniProt:P55017" + }, + { + "key": "positively regulates", + "source": "UniProt:P55017", + "target": "GO:0070294" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": "GO:0003092", + "target": "HP:0033533" + }, + { + "key": "positively correlated with", + "source": "HP:0033533", + "target": "HP:0032263" + }, + { + "key": "decreases activity of", + "source": "MESH:D006857", + "target": "UniProt:P00918" + }, + { + "key": "positively regulates", + "source": "UniProt:P00918", + "target": "GO:0038166" + }, + { + "key": "positively correlated with", + "source": "GO:0038166", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0032263" + }, + { + "key": "positively regulates", + "source": "MESH:D006857", + "target": "UniProt:Q12791" + }, + { + "key": "positively regulates", + "source": "UniProt:Q12791", + "target": "GO:0060087" + }, + { + "key": "negatively correlated with", + "source": "GO:0060087", + "target": "HP:0032263" + }, + { + "key": "manifestation of", + "source": "HP:0032263", + "target": "MESH:D006973" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D006857", + "label": "Drug", + "name": "hydroflumethiazide" + }, + { + "id": "UniProt:P55017", + "label": "Protein", + "name": "Solute carrier family 12 member 3" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "renal sodium ion absorption" + }, + { + "id": "GO:0003092", + "label": "BiologicalProcess", + "name": "renal water retention" + }, + { + "id": "HP:0033533", + "label": "PhenotypicFeature", + "name": "Increased cardiac output" + }, + { + "id": "UniProt:Q12791", + "label": "Protein", + "name": "Calcium-activated potassium channel subunit alpha-1" + }, + { + "id": "UniProt:P00918", + "label": "Protein", + "name": "Carbonic anhydrase 2" + }, + { + "id": "GO:0060087", + "label": "BiologicalProcess", + "name": "relaxation of vascular associated smooth muscle" + }, + { + "id": "GO:0038166", + "label": "BiologicalProcess", + "name": "angiotensin-activated signaling pathway" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0032263", + "label": "PhenotypicFeature", + "name": "Increased blood pressure" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00774#pharmacodynamics", + "https://go.drugbank.com/drugs/DB00774#BE0000553", + "https://en.wikipedia.org/wiki/Category:Carbonic_anhydrase_inhibitors", + "https://go.drugbank.com/drugs/DB00774#BE0000267", + "https://pubchem.ncbi.nlm.nih.gov/compound/3647#section=Mechanism-of-Action" + ] + }, + { + "comment": "Diphenoxylic acid (or difenoxin) is the pharmacologically active metabolite of diphenoxylate (https://pubmed.ncbi.nlm.nih.gov/3682841/), being 5 times more potent (https://pharmaceutical-journal.com/article/ld/understanding-the-chemical-basis-of-drug-stability-and-degradation). Diphenoxylate is rapidly metabolized to difenoxin (https://en.wikipedia.org/wiki/Diphenoxylate#Pharmacology). It's been suggested that difenoxin may regulate non-opioid receptor pathways as well (https://go.drugbank.com/drugs/DB01501#mechanism-of-action).", + "directed": true, + "graph": { + "_id": "DB01081_MESH_D003967_1", + "disease": "Diarrhea", + "disease_mesh": "MESH:D003967", + "drug": "diphenoxylate", + "drug_mesh": "MESH:D004157", + "drugbank": "DB:DB01081" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D004157", + "target": "DB:DB01501" + }, + { + "key": "increases activity of", + "source": "DB:DB01501", + "target": "UniProt:P35372" + }, + { + "key": "negatively regulates", + "source": "UniProt:P35372", + "target": "GO:0120054" + }, + { + "key": "positively correlated with", + "source": "GO:0120054", + "target": "MESH:D003967" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004157", + "label": "Drug", + "name": "diphenoxylate" + }, + { + "id": "DB:DB01501", + "label": "ChemicalSubstance", + "name": "Difenoxin" + }, + { + "id": "UniProt:P35372", + 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"https://go.drugbank.com/drugs/DB05197" + ] + }, + { + "comment": "Vortioxetine is classified as a serotonin modulator. 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Tridihexethyl is no longer available in the US market.", + "directed": true, + "graph": { + "_id": "DB00505_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MESH:D010437", + "drug": "Tridihexethyl", + "drug_mesh": "MESH:C005386", + "drugbank": "DB:DB00505" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C005386", + "target": "UniProt:P20309" + }, + { + "key": "participates in", + "source": "UniProt:P20309", + "target": "GO:0001699" + }, + { + "key": "increases abundance of", + "source": "GO:0001699", + "target": "MESH:D005744" + }, + { + "key": "positively regulates", + "source": "MESH:D005744", + "target": "InterPro:IPR034162" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR034162", + "target": "MESH:D010437" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005386", + "label": "Drug", + "name": "Tridihexethyl" + }, + { + "id": "UniProt:P20309", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M3" + }, + { + "id": "GO:0001699", + "label": "BiologicalProcess", + "name": "Acetylcholine-induced gastric acid secretion" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric acid" + }, + { + "id": "InterPro:IPR034162", + "label": "GeneFamily", + "name": "Pepsin catalytic domain" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00505" + ] + }, + { + "comment": "Withdrawn. 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"https://en.wikipedia.org/wiki/Organophosphate_poisoning#Signs_and_symptoms" + ] + }, + { + "comment": "Trioxsalen is a psoralen derivative that has been used in combination with UV light to treat vitiligo, but has been discontinued by its manufacturer.", + "directed": true, + "graph": { + "_id": "DB04571_MESH_D014820_1", + "disease": "Vitiligo", + "disease_mesh": "MESH:D014820", + "drug": "trioxsalen", + "drug_mesh": "MESH:D014307", + "drugbank": "DB:DB04571" + }, + "links": [ + { + "key": "disrupts", + "source": "MESH:D014307", + "target": "MESH:D004247" + }, + { + "key": "participates in", + "source": "MESH:D004247", + "target": "GO:0006915" + }, + { + "key": "treats", + "source": "GO:0006915", + "target": "MESH:D014820" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014307", + "label": "Drug", + "name": "Trioxsalen" + }, + { + "id": "MESH:D004247", + "label": "ChemicalSubstance", + "name": "DNA" + }, + { + "id": "GO:0006915", + "label": "BiologicalProcess", + "name": "Apoptotic process" + }, + { + "id": "MESH:D014820", + "label": "Disease", + "name": "Vitiligo" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04571", + "https://en.wikipedia.org/wiki/Vitiligo" + ] + }, + { + "comment": "The exact mechanism of action of ingenol mebutate in actinic keratosis is unknown.", + "directed": true, + "graph": { + "_id": "DB05013_MESH_D055623_1", + "disease": "Actinic keratosis", + "disease_mesh": "MESH:D055623", + "drug": "ingenol mebutate", + "drug_mesh": "MESH:C486592", + "drugbank": "DB:DB05013" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C486592", + "target": "UniProt:Q05655" + }, + { + "key": "positively correlated with", + "source": "UniProt:Q05655", + "target": "GO:0004697" + }, + { + "key": "increases activity of", + "source": "MESH:C486592", + "target": "UniProt:P17252" + }, + { + "key": "positively correlated with", + "source": "UniProt:P17252", + "target": "GO:0004697" + }, + { + "key": "positively 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"Protein", + "name": "ATP-binding cassette sub-family C member 8" + }, + { + "id": "reactome:R-HSA-422356", + "label": "Pathway", + "name": "Regulation of insulin secretion" + }, + { + "id": "GO:0006006", + "label": "BiologicalProcess", + "name": "glucose metabolic process" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01252" + ] + }, + { + "comment": "Withdrawn", + "directed": true, + "graph": { + "_id": "DB01556_MESH_D009765_1", + "disease": "Obesity", + "disease_mesh": "MESH:D009765", + "drug": "chlorphentermine", + "drug_mesh": "MESH:D002745", + "drugbank": "DB:DB01556" + }, + "links": [ + { + "key": "molecularly interacts with", + "source": "MESH:D002745", + "target": "UniProt:P31645" + }, + { + "key": "positively regulates", + "source": "UniProt:P31645", + "target": "GO:0001820" + }, + { + "key": "positively correlated with", + "source": "GO:0001820", + "target": "HP:0004396" + }, + { + "key": "negatively correlated with", + "source": "HP:0004396", + "target": "MESH:D009765" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002745", + "label": "Drug", + "name": "chlorphentermine" + }, + { + "id": "UniProt:P31645", + "label": "Protein", + "name": "Sodium-dependent serotonin transporter" + }, + { + "id": "GO:0001820", + "label": "BiologicalProcess", + "name": "serotonin secretion" + }, + { + "id": "HP:0004396", + "label": "PhenotypicFeature", + "name": "Poor appetite" + }, + { + "id": "MESH:D009765", + "label": "Disease", + "name": "Obesity" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Chlorphentermine", + "https://en.wikipedia.org/wiki/Serotonin_releasing_agent#Pharmaceutical_drugs" + ] + }, + { + "comment": "The exact mechanism of action and the target of this drug is unknown. It's been withdrawn in most countries in the early 1970s.", + "directed": true, + "graph": { + "_id": "DB04823_MESH_D003248_1", + "disease": "Constipation", + "disease_mesh": "MESH:D003248", + "drug": "oxyphenisatine", + "drug_mesh": null, + "drugbank": "DB:DB04823" + }, + "links": [ + { + "key": "positively regulates", + "source": "DB:DB04823", + "target": "GO:0120054" + }, + { + "key": "negatively correlated with", + "source": "GO:0120054", + "target": "MESH:D003248" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_names": [ + "oxyphenisatin" + ], + "id": "DB:DB04823", + "label": "Drug", + "name": "oxyphenisatine" + }, + { + "id": "GO:0120054", + "label": "BiologicalProcess", + "name": "intestinal motility" + }, + { + "id": "MESH:D003248", + "label": "Disease", + "name": "Constipation" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04823", + "https://pubchem.ncbi.nlm.nih.gov/compound/31315#section=Pharmacology-and-Biochemistry" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB05829_MESH_D007011_1", + "disease": "Hypoparathyroidism", + "disease_mesh": "MESH:D007011", + "drug": "parathyroid hormone", + "drug_mesh": "MESH:D010281", + "drugbank": "DB:DB05829" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D010281", + "target": "UniProt:Q03431" + }, + { + "key": "regulates", + "source": "UniProt:Q03431", + "target": "GO:0055074" + }, + { + "key": "negatively correlated with", + "source": "GO:0055074", + "target": "HP:0004363" + }, + { + "key": "manifestation of", + "source": "HP:0004363", + "target": "MESH:D007011" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010281", + "label": "Drug", + "name": "parathyroid hormone" + }, + { + "id": "UniProt:Q03431", + "label": "Protein", + "name": "Parathyroid hormone/parathyroid hormone-related peptide receptor" + }, + { + "id": "GO:0055074", + "label": "BiologicalProcess", + "name": "calcium ion homeostasis" + }, + { + "id": "HP:0004363", + "label": "PhenotypicFeature", + "name": "Abnormal circulating calcium concentration" + }, + { + "id": "MESH:D007011", + "label": "Disease", + "name": "Hypoparathyroidism" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL2108078/", + "https://go.drugbank.com/drugs/DB05829", + "https://en.wikipedia.org/wiki/Recombinant_human_parathyroid_hormone#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Parathyroid_hormone_receptor" + ] + }, + { + "comment": "There is very little information on this drug; it's known that is part of a class of antithyroid preparations. It's in Phase 0 of clinical trials, aka research/experimental phase as per Jun 2021.", + "directed": true, + "graph": { + "_id": "DB07637_MESH_D006980_1", + "disease": "Hyperthyroidism", + "disease_mesh": "MESH:D006980", + "drug": "dibromotyrosine", + "drug_mesh": null, + "drugbank": "DB:DB07637" + }, + "links": [ + { + "key": "negatively regulates", + "source": "DB:DB07637", + "target": "GO:0006590" + }, + { + "key": "positively correlated with", + "source": "GO:0006590", + "target": "MESH:D006980" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB07637", + "label": "Drug", + "name": "dibromotyrosine" + }, + { + "id": "GO:0006590", + "label": "BiologicalProcess", + "name": "thyroid hormone generation" + }, + { + "id": "MESH:D006980", + "label": "Disease", + "name": "Hyperthyroidism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB07637", + "https://en.wikipedia.org/wiki/Dibromotyrosine", + "https://en.wikipedia.org/wiki/Antithyroid_agent#Mechanism_of_action" + ] + }, + { + "comment": "Octinoxate is a sunscreen agent found in sunscreens that absorbs UV rays.", + "directed": true, + "graph": { + "_id": "DB09496_MESH_D008548_1", + "disease": "Chloasma", + "disease_mesh": "MESH:D008548", + "drug": "octinoxate", + "drug_mesh": "MESH:C516303", + "drugbank": "DB:DB09496" + }, + "links": [ + { + "key": "prevents", + "source": "MESH:C516303", + "target": "GO:0043479" + }, + { + "key": "negatively correlated with", + "source": "MESH:C516303", + "target": "HP:0000953" + }, + { + "key": "positively correlated with", + "source": "GO:0043479", + "target": "MESH:D008548" + }, + { + "key": "positively correlated with", + "source": "HP:0000953", + "target": "MESH:D008548" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_names": [ + "Octyl methoxycinnamate", + "ethylhexyl methoxycinnamate" + ], + "id": "MESH:C516303", + "label": "Drug", + "name": "octinoxate" + }, + { + "id": "GO:0043479", + "label": "BiologicalProcess", + "name": "pigment accumulation in tissues in response to UV light" + }, + { + "id": "HP:0000953", + "label": "PhenotypicFeature", + "name": "Hyperpigmentation of the skin" + }, + { + "id": "MESH:D008548", + "label": "Disease", + "name": "Chloasma" + } + ], + "reference": [ + "https://pubchem.ncbi.nlm.nih.gov/compound/5355130#section=Mechanism-of-Action", + "https://go.drugbank.com/drugs/DB09496", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL3183184/" + ] + }, + { + "comment": "This drug can affect both host and parasite Pyruvate kinase, therefore it is highly toxic with many side effects.", + "directed": true, + "graph": { + "_id": "DB12864_MESH_D014353_1", + "disease": "African trypanosomiasis", + "disease_mesh": "MESH:D014353", + "drug": "melarsoprol", + "drug_mesh": "MESH:D008549", + "drugbank": "DB:DB12864" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D008549", + "target": "MESH:C044719" + }, + { + "key": "disrupts", + "source": "MESH:C044719", + "target": "InterPro:IPR001697" + }, + { + "key": "disrupts", + "source": "MESH:C044719", + "target": "CHEBI:17842" + }, + { + "key": "in taxon", + "source": "CHEBI:17842", + "target": "taxonomy:5691" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001697", + "target": "GO:0006096" + }, + { + "key": "in taxon", + "source": "GO:0006096", + "target": "taxonomy:5691" + }, + { + "key": "causes", + "source": "taxonomy:5691", + "target": "MESH:D014353" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008549", + "label": "Drug", + "name": "melarsoprol" + }, + { + "id": "MESH:C044719", + "label": "ChemicalSubstance", + "name": "melarsen oxide" + }, + { + "id": "InterPro:IPR001697", + "label": "GeneFamily", + "name": "Pyruvate kinase" + }, + { + "id": "CHEBI:17842", + "label": "ChemicalSubstance", + "name": "trypanothione" + }, + { + "id": "GO:0006096", + "label": "BiologicalProcess", + "name": "glycolytic process" + }, + { + "id": "taxonomy:5691", + "label": "OrganismTaxon", + "name": "Trypanosoma brucei" + }, + { + "id": "MESH:D014353", + "label": "Disease", + "name": "African trypanosomiasis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Melarsoprol#Mechanism_of_action" + ] + }, + { + "comment": "According to many sources the general use of calcium for cardiac arrest is not recommended.", + "directed": true, + "graph": { + "_id": "DB00258_MESH_D006323_1", + "disease": "Cardiac arrest", + "disease_mesh": "MESH:D006323", + "drug": "calcium acetate", + "drug_mesh": "MESH:C120662", + "drugbank": "DB:DB00258" + }, + "links": [ + { + "key": "contraindicated for", + "source": "MESH:C120662", + "target": "MESH:D006323" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C120662", + "label": "Drug", + "name": "Calcium acetate" + }, + { + "id": "MESH:D006323", + "label": "Disease", + "name": "Cardiac arrest" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Cardiac_arrest", + "https://go.drugbank.com/drugs/DB00258", + "https://pubmed.ncbi.nlm.nih.gov/3752763/", + "https://pubmed.ncbi.nlm.nih.gov/3526886/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00258_MESH_D006996_1", + "disease": "Hypocalcemia", + "disease_mesh": "MESH:D006996", + "drug": "calcium acetate", + "drug_mesh": "MESH:C120662", + "drugbank": "DB:DB00258" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C120662", + "target": "UniProt:P41180" + }, + { + "key": "increases abundance of", + "source": "MESH:C120662", + "target": "MESH:D002118" + }, + { + "key": "positively regulates", + "source": "UniProt:P41180", + "target": "GO:0055074" + }, + { + "key": "negatively correlated with", + "source": "MESH:D002118", + "target": "MESH:D006996" + }, + { + "key": "negatively correlated with", + "source": "GO:0055074", + "target": "MESH:D006996" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C120662", + "label": "Drug", + "name": "Calcium acetate" + }, + { + "id": "MESH:D002118", + "label": "ChemicalSubstance", + "name": "Calcium" + }, + { + "id": "UniProt:P41180", + "label": "Protein", + "name": "Extracellular calcium-sensing receptor" + }, + { + "id": "GO:0055074", + "label": "BiologicalProcess", + "name": "calcium ion homeostasis" + }, + { + "id": "MESH:D006996", + "label": "Disease", + "name": "Hypocalcemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB11093#BE0000509" + ] + }, + { + "comment": "For the management hyperkalemia management a calcium chloride or a calcium gluconate soluion is usually used.", + "directed": true, + "graph": { + "_id": "DB00258_MESH_D006947_1", + "disease": "Hyperkalemia", + "disease_mesh": "MESH:D006947", + "drug": "calcium acetate", + "drug_mesh": "MESH:C120662", + "drugbank": "DB:DB00258" + }, + "links": [ + { + "key": "capable of", + "source": "MESH:C120662", + "target": "GO:0030322" + }, + { + "key": "located in", + "source": "GO:0030322", + "target": "UBERON:0001133" + }, + { + "key": "affected by", + "source": "UBERON:0001133", + "target": "MESH:D006947" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C120662", + "label": "Drug", + "name": "Calcium acetate" + }, + { + "id": "GO:0030322", + "label": "BiologicalProcess", + "name": "Stabilization of membrane potential" + }, + { + "id": "UBERON:0001133", + "label": "GrossAnatomicalStructure", + "name": "Cardiac muscle" + }, + { + "id": "MESH:D006947", + "label": "Disease", + "name": "Hyperkalemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01164#mechanismofaction", + "https://www.aafp.org/afp/2015/0915/p487.html", + "https://en.wikipedia.org/wiki/Hyperkalemia", + "https://pubchem.ncbi.nlm.nih.gov/compound/Calcium-dichloride#section=Pharmacology-and-Biochemistry" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00281_MESH_D009437_1", + "disease": "Neuralgia", + "disease_mesh": "MESH:D009437", + "drug": "lidocaine", + "drug_mesh": "MESH:D008012", + "drugbank": "DB:DB00281" + }, + "links": [ + { + "key": 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"name": "Sodium channel protein type 10 subunit alpha" + }, + { + "id": "UniProt:Q15858", + "label": "Protein", + "name": "Sodium channel protein type 9 subunit alpha" + }, + { + "id": "UniProt:Q14524", + "label": "Protein", + "name": "Sodium channel protein type 5 subunit alpha" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "Neuronal action potential" + }, + { + "id": "CL:0000198", + "label": "Cell", + "name": "Pain receptor cell" + }, + { + "id": "GO:0019233", + "label": "BiologicalProcess", + "name": "Sensory perception of pain" + }, + { + "id": "MESH:D009437", + "label": "Disease", + "name": "Neuralgia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00281", + "https://en.wikipedia.org/wiki/Neuralgia#Mechanisms" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00281_MESH_D014526_1", + "disease": "Urethritis", + "disease_mesh": "MESH:D014526", + "drug": "lidocaine", + "drug_mesh": "MESH:D008012", + "drugbank": "DB:DB00281" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D008012", + "target": "UniProt:Q9Y5Y9" + }, + { + "key": "decreases activity of", + "source": "MESH:D008012", + "target": "UniProt:Q15858" + }, + { + "key": "decreases activity of", + "source": "MESH:D008012", + "target": "UniProt:Q14524" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9Y5Y9", + "target": "GO:0019228" + }, + { + "key": "positively regulates", + "source": "UniProt:Q15858", + "target": "GO:0019228" + }, + { + "key": "positively regulates", + "source": "UniProt:Q14524", + "target": "GO:0019228" + }, + { + "key": "occurs in", + "source": "GO:0019228", + "target": "CL:0000198" + }, + { + "key": "participates in", + "source": "CL:0000198", + "target": "GO:0019233" + }, + { + "key": "occurs in", + "source": "GO:0019233", + "target": "MESH:D014526" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008012", + "label": "Drug", + "name": "Lidocaine" + }, + { + "id": "UniProt:Q9Y5Y9", + 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a glycine.", + "directed": true, + "graph": { + "_id": "DB00145_MESH_D065631_1", + "disease": "Allergic rhinitis", + "disease_mesh": "MESH:D065631", + "drug": "glycine", + "drug_mesh": "MESH:D005998", + "drugbank": "DB:DB00145" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D005998", + "target": "MESH:D065631" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005998", + "label": "Drug", + "name": "Glycine" + }, + { + "id": "MESH:D065631", + "label": "Disease", + "name": "Allergic rhinitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00145" + ] + }, + { + "comment": "No evidence found to support common cold treatment with a glycine.", + "directed": true, + "graph": { + "_id": "DB00145_MESH_D003139_1", + "disease": "Common cold", + "disease_mesh": "MESH:D003139", + "drug": "glycine", + "drug_mesh": "MESH:D005998", + "drugbank": "DB:DB00145" + }, + "links": [ + { + "key": "treats", + "source": "MESH:D005998", + "target": "MESH:D003139" + } + ], + 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], + "reference": [ + "https://go.drugbank.com/drugs/DB00585" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00585_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MESH:D010437", + "drug": "nizatidine", + "drug_mesh": "MESH:D016567", + "drugbank": "DB:DB00585" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D016567", + "target": "UniProt:P25021" + }, + { + "key": "positively regulates", + "source": "UniProt:P25021", + "target": "GO:0001696" + }, + { + "key": "increases abundance of", + "source": "GO:0001696", + "target": "MESH:D005744" + }, + { + "key": "contributes to", + "source": "MESH:D005744", + "target": "MESH:D010437" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D016567", + "label": "Drug", + "name": "nizatidine" + }, + { + "id": "UniProt:P25021", + "label": "Protein", + "name": "Histamine H2 receptor" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "Gastric acid secretion" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric acid" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00585" + ] + }, + { + "comment": "The condition is also known as Dyspepsia.", + "directed": true, + "graph": { + "_id": "DB00585_MESH_D004415_1", + "disease": "Indigestion", + "disease_mesh": "MESH:D004415", + "drug": "nizatidine", + "drug_mesh": "MESH:D016567", + "drugbank": "DB:DB00585" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D016567", + "target": "UniProt:P25021" + }, + { + "key": "positively regulates", + "source": "UniProt:P25021", + "target": "GO:0001696" + }, + { + "key": "increases abundance of", + "source": "GO:0001696", + "target": "MESH:D005744" + }, + { + "key": "correlated with", + "source": "MESH:D005744", + "target": "MESH:D004415" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D016567", + "label": "Drug", + "name": "nizatidine" + }, + { + "id": "UniProt:P25021", + "label": "Protein", + "name": "Histamine H2 receptor" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "Gastric acid secretion" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric acid" + }, + { + "id": "MESH:D004415", + "label": "Disease", + "name": "Indigestion" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00585" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00755_MESH_D000152_1", + "disease": "Acne vulgaris", + "disease_mesh": "MESH:D000152", + "drug": "tretinoin", + "drug_mesh": "MESH:D014212", + "drugbank": "DB:DB00755" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D014212", + "target": "UniProt:P10276" + }, + { + "key": "increases activity of", + "source": "MESH:D014212", + "target": "UniProt:P13631" + }, + { + "key": "increases activity of", + "source": "MESH:D014212", + "target": "UniProt:P10826" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10276", + "target": "GO:0008283" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P13631", + "target": "GO:0008283" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10826", + "target": "GO:0008283" + }, + { + "key": "correlated with", + "source": "GO:0008283", + "target": "HP:0025249" + }, + { + "key": "positively correlated with", + "source": "HP:0025249", + "target": "MESH:D000152" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014212", + "label": "Drug", + "name": "tretinoin" + }, + { + "id": "UniProt:P10276", + "label": "Protein", + "name": "Retinoic acid receptor alpha" + }, + { + "id": "UniProt:P10826", + "label": "Protein", + "name": "Retinoic acid receptor beta" + }, + { + "id": "UniProt:P13631", + "label": "Protein", + "name": "Retinoic acid receptor gamma" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "HP:0025249", + "label": "PhenotypicFeature", + "name": "Comedo" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00755", + "https://pubmed.ncbi.nlm.nih.gov/32100454/", + "https://pubmed.ncbi.nlm.nih.gov/28585191/", + "https://en.wikipedia.org/wiki/Tretinoin#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00755_MESH_D008548_1", + "disease": "Chloasma", + "disease_mesh": "MESH:D008548", + "drug": "tretinoin", + "drug_mesh": "MESH:D014212", + "drugbank": "DB:DB00755" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D014212", + "target": "UniProt:P10276" + }, + { + "key": "increases activity of", + "source": "MESH:D014212", + "target": "UniProt:P13631" + }, + { + "key": "increases activity of", + "source": "MESH:D014212", + "target": "UniProt:P10826" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10276", + "target": "GO:0008283" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P13631", + "target": "GO:0008283" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10826", + "target": "GO:0008283" + }, + { + "key": "correlated with", + "source": "GO:0008283", + "target": "GO:0043476" + }, + { + "key": "positively correlated with", + "source": "GO:0043476", + "target": "HP:0000953" + }, + { + "key": "manifestation of", + "source": "HP:0000953", + "target": "MESH:D008548" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014212", + "label": "Drug", + "name": "tretinoin" + }, + { + "id": "UniProt:P10276", + "label": "Protein", + "name": "Retinoic acid receptor alpha" + }, + { + "id": "UniProt:P10826", + "label": "Protein", + "name": "Retinoic acid receptor beta" + }, + { + "id": "UniProt:P13631", + "label": "Protein", + "name": "Retinoic acid receptor gamma" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "GO:0043476", + "label": "BiologicalProcess", + "name": "pigment accumulation" + }, + { + "id": "HP:0000953", + "label": "PhenotypicFeature", + "name": "Hyperpigmentation of the skin" + }, + { + "id": "MESH:D008548", + "label": "Disease", + "name": "Chloasma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00755", + "https://en.wikipedia.org/wiki/Tretinoin#Side_effects", + "https://en.wikipedia.org/wiki/Melasma#Signs_and_symptoms" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00755_MESH_D015473_1", + "disease": "Acute promyelocytic leukemia, FAB M3", + "disease_mesh": "MESH:D015473", + "drug": "tretinoin", + "drug_mesh": "MESH:D014212", + "drugbank": "DB:DB00755" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D014212", + "target": "UniProt:P10276" + }, + { + "key": "increases activity of", + "source": "MESH:D014212", + "target": "UniProt:P13631" + }, + { + "key": "increases activity of", + "source": "MESH:D014212", + "target": "UniProt:P10826" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10276", + "target": "GO:0008283" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P13631", + "target": "GO:0008283" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10826", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MESH:D015473" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014212", + "label": "Drug", + "name": "tretinoin" + }, + { + "id": "UniProt:P10276", + "label": "Protein", + "name": "Retinoic acid receptor alpha" + }, + { + "id": "UniProt:P10826", + "label": "Protein", + "name": "Retinoic acid receptor beta" + }, + { + "id": "UniProt:P13631", + "label": "Protein", + "name": "Retinoic acid receptor gamma" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "MESH:D015473", + "label": "Disease", + "name": "Acute promyelocytic leukemia, FAB M3" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00755", + "https://en.wikipedia.org/wiki/Tretinoin#Mechanism_of_action" + ] + }, + { + "comment": "Withdrawn. The target on the protein is not known (https://en.wikipedia.org/wiki/Tienilic_acid).", + "directed": true, + "graph": { + "_id": "DB04831_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MESH:D006973", + "drug": "tienilic acid", + "drug_mesh": "MESH:D013989", + "drugbank": "DB:DB04831" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D013989", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": "GO:0003092", + "target": "HP:0032263" + }, + { + "key": "manifestation of", + "source": "HP:0032263", + "target": "MESH:D006973" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013989", + "label": "Drug", + "name": "tienilic acid" + }, + { + "id": "GO:0003092", + "label": "BiologicalProcess", + "name": "renal water retention" + }, + { + "id": "HP:0032263", + "label": "PhenotypicFeature", + "name": "Increased blood pressure" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04831" + ] + }, + { + "comment": "Sucroferric oxyhydroxide is an iron-based phosphate binder (https://en.wikipedia.org/wiki/Phosphate_binder).", + "directed": true, + "graph": { + "_id": "DB09146_MESH_D054559_1", + "disease": "Hyperphosphatemia", + "disease_mesh": "MESH:D054559", + "drug": "sucroferric oxyhydroxide", + "drug_mesh": "MESH:C000599459", + "drugbank": "DB:DB09146" + }, + "links": [ + { + "key": "decreases abundance of", + "source": "MESH:C000599459", + "target": "CHEBI:18367" + }, + { + "key": "positively correlated with", + "source": "CHEBI:18367", + "target": "MESH:D054559" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C092844" + ], + "alt_names": [ + "ferric oxyhydroxide" + ], + "id": "MESH:C000599459", + "label": "Drug", + "name": "sucroferric oxyhydroxide" + }, + { + "id": "CHEBI:18367", + "label": "ChemicalSubstance", + "name": "phosphate(3\u2212)" + }, + { + "id": "MESH:D054559", + "label": "Disease", + "name": "Hyperphosphatemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09146", + "https://en.wikipedia.org/wiki/Hyperphosphatemia#Treatment" + ] + }, + { + "comment": "The anticonvulsant properties of nitrazepam and other benzodiazepines may be in part or entirely due to binding to voltage-dependent sodium channels rather than benzodiazepine receptors (https://en.wikipedia.org/wiki/Nitrazepam#Pharmacology), so both classes of targets have been annotated here. Although the parmachological action on UniProt:P35498 is unknown (https://go.drugbank.com/drugs/DB01595#BE0000141) it's believed that reduced sodium currents due to mutations in the gene that codes for UniProt:P35498 may cause hyper-excitability in GABAergic inhibitory interneurons, which would lead to seizures. In mouse models, a dramatic loss of sodium current in hippocampal GABAergic inhibitory interneurons would mean hypofunction of inhibitory circuits, leading to hyperexcitability of neuronal networks and result in epilepsy seizures (https://pubmed.ncbi.nlm.nih.gov/16921370/).", + "directed": true, + "graph": { + "_id": "DB01595_MESH_D004831_1", + "disease": "Myoclonic seizure", + "disease_mesh": "MESH:D004831", + "drug": "nitrazepam", + "drug_mesh": "MESH:D009567", + "drugbank": "DB:DB01595" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D009567", + "target": "InterPro:IPR006028" + }, + { + "key": "regulates", + "source": "MESH:D009567", + "target": "UniProt:P35498" + }, + { + "key": "regulates", + "source": "UniProt:P35498", + "target": "GO:0019228" + }, + { + "key": "located in", + "source": "GO:0019228", + "target": "CL:0011005" + }, + { + "key": "negatively correlated with", + "source": "CL:0011005", + "target": "HP:0020219" + }, + { + "key": "negatively regulates", + "source": "InterPro:IPR006028", + "target": "HP:0020219" + }, + { + "key": "superclass of", + "source": "HP:0020219", + "target": "MESH:D004831" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009567", + "label": "Drug", + "name": "nitrazepam" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "UniProt:P35498", + "label": "Protein", + "name": "sodium voltage-gated channel alpha subunit 1" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "CL:0011005", + "label": "Cell", + "name": "GABAergic interneuron" + }, + { + "id": "HP:0020219", + "label": "PhenotypicFeature", + "name": "Motor seizure" + }, + { + "id": "MESH:D004831", + "label": "Disease", + "name": "Myoclonic seizure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01595", + "https://pubmed.ncbi.nlm.nih.gov/17505554/", + "https://en.wikipedia.org/wiki/Nav1.1#Function" + ] + }, + { + "comment": "The precise mechanism of action for thalidomide is unknown (https://en.wikipedia.org/wiki/Thalidomide#Pharmacology).", + "directed": true, + "graph": { + "_id": "DB01041_MESH_D009101_1", + "disease": "Multiple myeloma", + "disease_mesh": "MESH:D009101", + "drug": "thalidomide", + "drug_mesh": "MESH:D013792", + "drugbank": "DB:DB01041" + }, + "links": [ + { + "key": "increases abundance of", + "source": "MESH:D013792", + "target": "CHEBI:26523" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26523", + "target": "GO:0036473" + }, + { + "key": "negatively correlated with", + "source": "GO:0036473", + "target": "MESH:D009101" + }, + { + "key": "decreases activity of", + "source": "MESH:D013792", + "target": "UniProt:Q96SW2" + }, + { + "key": "positively regulates", + "source": "UniProt:Q96SW2", + "target": "GO:0016567" + }, + { + "key": "negatively correlated with", + "source": "GO:0016567", + "target": "GO:0051301" + }, + { + "key": "positively correlated with", + "source": "GO:0051301", + "target": "GO:0008283" + }, + { + "key": "decreases activity of", + "source": "MESH:D013792", + "target": "UniProt:P01375" + }, + { + "key": "decreases activity of", + "source": "MESH:D013792", + "target": "UniProt:P15692" + }, + { + "key": "positively regulates", + "source": "UniProt:P01375", + "target": "GO:0008283" + }, + { + "key": "positively regulates", + "source": "UniProt:P01375", + "target": "GO:0032635" + }, + { + "key": "positively regulates", + "source": "GO:0032635", + "target": "GO:0006954" + }, + { + "key": "positively regulates", + "source": "UniProt:P01375", + "target": "GO:0002534" + }, + { + "key": "positively regulates", + "source": "UniProt:P15692", + "target": "GO:0001525" + }, + { + "key": "positively correlated with", + "source": "GO:0001525", + "target": "MESH:D009101" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MESH:D009101" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MESH:D009101" + }, + { + "key": "positively correlated with", + "source": "GO:0002534", + "target": "MESH:D009101" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013792", + "label": "Drug", + "name": "thalidomide" + }, + { + "id": "UniProt:P01375", + "label": "Protein", + "name": "Tumor necrosis factor" + }, + { + "id": "UniProt:P15692", + "label": "Protein", + "name": "Vascular endothelial growth factor A" + }, + { + "id": "UniProt:Q96SW2", + "label": "Protein", + "name": "Protein cereblon" + }, + { + "id": "GO:0016567", + "label": "BiologicalProcess", + "name": "protein ubiquitination" + }, + { + "id": "GO:0051301", + "label": "BiologicalProcess", + "name": "cell division" + }, + { + "id": "GO:0001525", + "label": "BiologicalProcess", + "name": "angiogenesis" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "GO:0032635", + "label": "BiologicalProcess", + "name": "interleukin-6 production" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "CHEBI:26523", + "label": "ChemicalSubstance", + "name": "reactive oxygen species" + }, + { + "id": "GO:0036473", + "label": "BiologicalProcess", + "name": "cell death in response to oxidative stress" + }, + { + "id": "GO:0002534", + "label": "BiologicalProcess", + "name": "cytokine production involved in inflammatory response" + }, + { + "id": "MESH:D009101", + "label": "Disease", + "name": "Multiple myeloma" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Immunomodulatory_imide_drug#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Cereblon#Ubiquitination_and_role_in_development", + "https://pubmed.ncbi.nlm.nih.gov/14513045/", + "https://pubmed.ncbi.nlm.nih.gov/27260630/", + "https://go.drugbank.com/drugs/DB01041" + ] + }, + { + "directed": true, + "graph": { + 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"GO:0015272", + "label": "BiologicalProcess", + "name": "ATP-activated inward rectifier potassium channel activity" + }, + { + "id": "GO:0051899", + "label": "BiologicalProcess", + "name": "Membrane depolarization" + }, + { + "id": "GO:0070509", + "label": "BiologicalProcess", + "name": "Calcium ion import" + }, + { + "id": "GO:0030073", + "label": "BiologicalProcess", + "name": "Insulin secretion" + }, + { + "id": "HP:0003074", + "label": "PhenotypicFeature", + "name": "Hyperglycemia" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01289#BE0002441" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB04876_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MESH:D003924", + "drug": "vildagliptin", + "drug_mesh": "MESH:C502012", + "drugbank": "DB:DB04876" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C502012", + "target": "UniProt:P27487" + }, + { + "key": "negatively regulates", + "source": "UniProt:P27487", + "target": "CHEBI:80270" + }, + { + "key": "positively regulates", + "source": "CHEBI:80270", + "target": "GO:0030073" + }, + { + "key": "negatively regulates", + "source": "CHEBI:80270", + "target": "GO:0070091" + }, + { + "key": "negatively regulates", + "source": "GO:0030073", + "target": "HP:0003074" + }, + { + "key": "positively correlated with", + "source": "GO:0070091", + "target": "HP:0003074" + }, + { + "key": "positively correlated with", + "source": "HP:0003074", + "target": "MESH:D003924" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C502012", + "label": "Drug", + "name": "Evogliptin" + }, + { + "id": "UniProt:P27487", + "label": "Protein", + "name": "Dipeptidyl peptidase 4" + }, + { + "id": "CHEBI:80270", + "label": "ChemicalSubstance", + "name": "Glucagon-like peptide 1" + }, + { + "id": "GO:0030073", + "label": "BiologicalProcess", + "name": "Insulin secretion" + }, 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"multigraph": true, + "nodes": [ + { + "id": "MESH:C542859", + "label": "Drug", + "name": "Aclidinium bromide" + }, + { + "id": "UniProt:P20309", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M3" + }, + { + "id": "HP:4000007", + "label": "PhenotypicFeature", + "name": "Bronchoconstriction" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "Inflammatory response" + }, + { + "id": "MESH:D029424", + "label": "Disease", + "name": "Chronic obstructive lung disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08897#BE0000045" + ] + }, + { + "comment": "Rimonabant was rejected for approval for use in the United States.", + "directed": true, + "graph": { + "_id": "DB06155_MESH_D009765_1", + "disease": "Obesity", + "disease_mesh": "MESH:D009765", + "drug": "rimonabant", + "drug_mesh": "MESH:C089032", + "drugbank": "DB:DB06155" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C089032", + "target": 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microtubule-associated protein-like 4) fusion protein that causes proliferation of NSCLC cells.", + "directed": true, + "graph": { + "_id": "DB11363_MESH_D002289_1", + "disease": "Non-small cell lung cancer", + "disease_mesh": "MESH:D002289", + "drug": "alectinib", + "drug_mesh": "MESH:C582670", + "drugbank": "DB:DB11363" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C582670", + "target": "UniProt:Q9UM73" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9UM73", + "target": "reactome:R-HSA-9701898" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9UM73", + "target": "reactome:R-HSA-109704" + }, + { + "key": "negatively regulates", + "source": "reactome:R-HSA-9701898", + "target": "GO:1904019" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-109704", + "target": "GO:0050673" + }, + { + "key": "occurs in", + "source": "GO:1904019", + "target": "UBERON:0002048" + }, + { + "key": "occurs in", + "source": 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"label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D065631", + "label": "Disease", + "name": "Allergic rhinitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00318", + "https://en.wikipedia.org/wiki/Codeine#Mechanism_of_action", + "https://pubchem.ncbi.nlm.nih.gov/compound/5284371#section=Pharmacology" + ] + }, + { + "comment": "Opioid medications seem not to be used to treat this type of headache (https://en.wikipedia.org/wiki/Tension_headache#Episodic).", + "directed": true, + "graph": { + "_id": "DB00318_MESH_D018781_1", + "disease": "Tension-type headache", + "disease_mesh": "MESH:D018781", + "drug": "codeine", + "drug_mesh": "MESH:D003061", + "drugbank": "DB:DB00318" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D003061", + "target": "MESH:D009020" + }, + { + "key": "increases activity of", + "source": "MESH:D009020", + "target": "InterPro:IPR001418" + }, + { + "key": "participates in", + "source": 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"MESH:D013373", + "label": "ChemicalSubstance", + "name": "Substance P" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D012220", + "label": "Disease", + "name": "Rhinitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00318", + "https://en.wikipedia.org/wiki/Codeine#Mechanism_of_action", + "https://pubchem.ncbi.nlm.nih.gov/compound/5284371#section=Pharmacology" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00318_MESH_D010146_1", + "disease": "Pain", + "disease_mesh": "MESH:D010146", + "drug": "codeine", + "drug_mesh": "MESH:D003061", + "drugbank": "DB:DB00318" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D003061", + "target": "MESH:D009020" + }, + { + "key": "increases activity of", + "source": "MESH:D009020", + "target": "InterPro:IPR001418" + }, + { + "key": "participates in", + "source": "InterPro:IPR001418", + "target": "reactome:R-HSA-418594" + }, + { + "key": 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"MESH:D010146", + "label": "Disease", + "name": "Pain" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00318", + "https://en.wikipedia.org/wiki/Codeine#Mechanism_of_action", + "https://pubchem.ncbi.nlm.nih.gov/compound/5284371#section=Pharmacology" + ] + }, + { + "comment": "Morphine and other opioids all seem to cause hyperthermia.", + "directed": true, + "graph": { + "_id": "DB00318_MESH_D005334_1", + "disease": "Fever", + "disease_mesh": "MESH:D005334", + "drug": "codeine", + "drug_mesh": "MESH:D003061", + "drugbank": "DB:DB00318" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D003061", + "target": "MESH:D009020" + }, + { + "key": "contraindicated for", + "source": "MESH:D009020", + "target": "MESH:D005334" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003061", + "label": "Drug", + "name": "codeine" + }, + { + "id": "MESH:D009020", + "label": "ChemicalSubstance", + "name": "morphine" + }, + { + "id": "MESH:D005334", + "label": "Disease", + "name": "Fever" + } + ], + "reference": [ + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5806778/", + "https://pubmed.ncbi.nlm.nih.gov/223174/", + "https://link.springer.com/chapter/10.1007/978-3-0348-7429-8_61" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00318_MESH_D003139_1", + "disease": "Common cold", + "disease_mesh": "MESH:D003139", + "drug": "codeine", + "drug_mesh": "MESH:D003061", + "drugbank": "DB:DB00318" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D003061", + "target": "MESH:D009020" + }, + { + "key": "increases activity of", + "source": "MESH:D009020", + "target": "InterPro:IPR001418" + }, + { + "key": "participates in", + "source": "InterPro:IPR001418", + "target": "reactome:R-HSA-418594" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418594", + "target": "MESH:D013373" + }, + { + "key": "positively correlated with", + "source": "MESH:D013373", + "target": "GO:0006954" + }, + { + "key": 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"target": "MESH:D009020" + }, + { + "key": "increases activity of", + "source": "MESH:D009020", + "target": "InterPro:IPR001418" + }, + { + "key": "negatively correlated with", + "source": "InterPro:IPR001418", + "target": "GO:0060004" + }, + { + "key": "positively correlated with", + "source": "GO:0060004", + "target": "MESH:D003371" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003061", + "label": "Drug", + "name": "codeine" + }, + { + "id": "MESH:D009020", + "label": "ChemicalSubstance", + "name": "morphine" + }, + { + "id": "InterPro:IPR001418", + "label": "GeneFamily", + "name": "Opioid receptor" + }, + { + "id": "GO:0060004", + "label": "BiologicalProcess", + "name": "reflex" + }, + { + "id": "MESH:D003371", + "label": "Disease", + "name": "Cough" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00318", + "https://en.wikipedia.org/wiki/Codeine#Mechanism_of_action", + "https://pubchem.ncbi.nlm.nih.gov/compound/5284371#section=Pharmacology", + "https://pubmed.ncbi.nlm.nih.gov/1852031/", + "https://pubmed.ncbi.nlm.nih.gov/17620111/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00318_MESH_D010612_1", + "disease": "Sore throat symptom", + "disease_mesh": "MESH:D010612", + "drug": "codeine", + "drug_mesh": "MESH:D003061", + "drugbank": "DB:DB00318" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D003061", + "target": "MESH:D009020" + }, + { + "key": "increases activity of", + "source": "MESH:D009020", + "target": "InterPro:IPR001418" + }, + { + "key": "participates in", + "source": "InterPro:IPR001418", + "target": "reactome:R-HSA-418594" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418594", + "target": "MESH:D013373" + }, + { + "key": "positively correlated with", + "source": "MESH:D013373", + "target": "HP:0012531" + }, + { + "key": "manifestation of", + "source": "HP:0012531", + "target": "MESH:D010612" + }, + { + "key": "decreases activity of", + "source": 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"https://en.wikipedia.org/wiki/Codeine#Mechanism_of_action", + "https://pubchem.ncbi.nlm.nih.gov/compound/5284371#section=Pharmacology" + ] + }, + { + "comment": "Mephenytoin is no longer available in the US or the UK (https://en.wikipedia.org/wiki/Mephenytoin).", + "directed": true, + "graph": { + "_id": "DB00532_MESH_D004827_1", + "disease": "Epilepsy", + "disease_mesh": "MESH:D004827", + "drug": "mephenytoin", + "drug_mesh": "MESH:D008617", + "drugbank": "DB:DB00532" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D008617", + "target": "InterPro:IPR001696" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061530" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061530", + "target": "HP:0020219" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0020219" + }, + { + "key": "negatively correlated with", + "source": "GO:0061535", + "target": "MESH:D000066829" + }, + { + "key": "negatively correlated with", + "source": "MESH:D000066829", + "target": "MESH:D004827" + }, + { + "key": "positively correlated with", + "source": "HP:0020219", + "target": "MESH:D004827" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008617", + "label": "Drug", + "name": "mephenytoin" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "GO:0061530", + "label": "BiologicalProcess", + "name": "aspartate secretion, neurotransmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0020219", + "label": "PhenotypicFeature", + "name": "Motor seizure" + }, + { + "id": "MESH:D000066829", + "label": "PhenotypicFeature", + "name": "Neuroprotection" + }, + { + "id": "MESH:D004827", + "label": "Disease", + "name": "Epilepsy" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00532", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL861/" + ] + }, + { + "comment": "The disease is also known as Epilepsies, Partia (https://meshb.nlm.nih.gov/record/ui?ui=D004828). Mephenytoin is no longer available in the US or the UK (https://en.wikipedia.org/wiki/Mephenytoin).", + "directed": true, + "graph": { + "_id": "DB00532_MESH_D004828_1", + "disease": "Localization-related epilepsy", + "disease_mesh": "MESH:D004828", + "drug": "mephenytoin", + "drug_mesh": "MESH:D008617", + "drugbank": "DB:DB00532" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D008617", + "target": "InterPro:IPR001696" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061530" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061530", + "target": "HP:0020219" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0020219" + }, + { + "key": "negatively correlated with", + "source": "GO:0061535", + "target": "MESH:D000066829" + }, + { + "key": "negatively correlated with", 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It's khown that acetylcholine producing neurons degenerate and it's believed that this cholinergic loss is correlated with cognitive impairment and a density of amyloid plaques (https://pubchem.ncbi.nlm.nih.gov/compound/9651#section=Mechanism-of-Action).", + "directed": true, + "graph": { + "_id": "DB00674_MESH_D000544_1", + "disease": "Alzheimer's disease", + "disease_mesh": "MESH:D000544", + "drug": "galantamine", + "drug_mesh": "MESH:D005702", + "drugbank": "DB:DB00674" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D005702", + "target": "UniProt:P22303" + }, + { + "key": "positively regulates", + "source": "UniProt:P22303", + "target": "GO:0006581" + }, + { + "key": "decreases abundance of", + "source": "GO:0006581", + "target": "CHEBI:15355" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:15355", + "target": "HP:0100543" + }, + { + "key": "manifestation of", + "source": "HP:0100543", + "target": "MESH:D000544" + } + ], + "multigraph": 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"label": "BiologicalProcess", + "name": "Cytokine-mediated signaling pathway" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "Cell population proliferation" + }, + { + "id": "MESH:D009196", + "label": "Disease", + "name": "Myeloproliferative disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08877#BE0002408" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB08877_MESH_D011087_1", + "disease": "Polycythemia vera", + "disease_mesh": "MESH:D011087", + "drug": "ruxolitinib", + "drug_mesh": "MESH:C540383", + "drugbank": "DB:DB08877" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C540383", + "target": "UniProt:O60674" + }, + { + "key": "decreases activity of", + "source": "MESH:C540383", + "target": "UniProt:P23458" + }, + { + "key": "positively regulates", + "source": "UniProt:O60674", + "target": "GO:0007259" + }, + { + "key": "positively regulates", + "source": "UniProt:P23458", + "target": "GO:0007259" + }, 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Gimeracil's main role within Teysuno is to prevent the breakdown of Fluorouracil (5-FU), which helps to maintin high enough concentrations for sustained effect against cancer cells.", + "directed": true, + "graph": { + "_id": "DB09257_MESH_D013274_1", + "disease": "Malignant tumor of stomach", + "disease_mesh": "MESH:D013274", + "drug": "gimeracil", + "drug_mesh": "MESH:C104201", + "drugbank": "DB:DB09257" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C104201", + "target": "UniProt:Q12882" + }, + { + "key": "decreases abundance of", + "source": "UniProt:Q12882", + "target": "MESH:D005472" + }, + { + "key": "treats", + "source": "MESH:D005472", + "target": "MESH:D013274" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C104201", + "label": "Drug", + "name": "Gimeracil" + }, + { + "id": "UniProt:Q12882", + "label": "Protein", + "name": "Dihydropyrimidine dehydrogenase" + }, + { + "id": "MESH:D005472", + "label": "Drug", + "name": "Fluorouracil" + }, + { + "id": "MESH:D013274", + "label": "Disease", + "name": "Malignant tumor of stomach" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09257#BE0000960" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB11888_MESH_D007251_1", + "disease": "Influenza", + "disease_mesh": "MESH:D007251", + "drug": "laninamivir octanoate hydrate", + "drug_mesh": "MESH:C546918", + "drugbank": "DB:DB11888" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C546918", + "target": "DB:DB12791" + }, + { + "key": "decreases activity of", + "source": "DB:DB12791", + "target": "UniProt:P03468" + }, + { + "key": "positively regulates", + "source": "UniProt:P03468", + "target": "GO:0019076" + }, + { + "key": "in taxon", + "source": "GO:0019076", + "target": "taxonomy:11320" + }, + { + "key": "causes", + "source": "taxonomy:11320", + "target": "MESH:D007251" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C546918", + "label": "Drug", + "name": "Laninamivir octanoate hydrate" + }, + { + "id": "DB:DB12791", + "label": "Drug", + "name": "Laninamivir" + }, + { + "id": "UniProt:P03468", + "label": "Protein", + "name": "Neuraminidase" + }, + { + "id": "GO:0019076", + "label": "BiologicalProcess", + "name": "Viral release from host cell" + }, + { + "id": "taxonomy:11320", + "label": "OrganismTaxon", + "name": "Influenza A virus" + }, + { + "id": "MESH:D007251", + "label": "Disease", + "name": "Influenza" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL467058/", + "https://en.wikipedia.org/wiki/Discovery_and_development_of_neuraminidase_inhibitors#Laninamivir", + "https://go.drugbank.com/drugs/DB11888" + ] + }, + { + "comment": "Dextromethorphan's action on histamine receptors has been observed in rat tissues. Note that the drug is indicated in combination with other drugs such as brompheniramine and pseudoephedrine in the treatment of upper respiratory symptoms associated with allergies.", + "directed": true, + "graph": { + "_id": "DB00514_MESH_D012223_1", + "disease": "Vasomotor rhinitis", + "disease_mesh": "MESH:D012223", + "drug": "dextromethorphan", + "drug_mesh": "MESH:D003915", + "drugbank": "DB:DB00514" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D003915", + "target": "DB:DB14682" + }, + { + "key": "decreases activity of", + "source": "DB:DB14682", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "participates in", + "source": "GO:0004969", + "target": "GO:0042311" + }, + { + "key": "positively correlated with", + "source": "GO:0042311", + "target": "MESH:D012223" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003915", + "label": "Drug", + "name": "dextromethorphan" + }, + { + "id": "DB:DB14682", + "label": "ChemicalSubstance", + "name": "Dextrorphan" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0004969", + "label": "MolecularActivity", + "name": "histamine receptor activity" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D012223", + "label": "Disease", + "name": "Vasomotor rhinitis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Dextromethorphan#Pharmacology" + ] + }, + { + "comment": "Dextromethorphan's action on histamine receptors has been observed in rat tissues. Note that the drug is indicated in combination with other drugs such as brompheniramine and pseudoephedrine in the treatment of upper respiratory symptoms associated with allergies.", + "directed": true, + "graph": { + "_id": "DB00514_MESH_D012912_1", + "disease": "Sneezing", + "disease_mesh": "MESH:D012912", + "drug": "dextromethorphan", + "drug_mesh": "MESH:D003915", + "drugbank": "DB:DB00514" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D003915", + "target": "DB:DB14682" + }, + { + "key": "decreases activity of", + "source": "DB:DB14682", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "participates in", + "source": "GO:0004969", + "target": "GO:0042311" + }, + { + "key": "positively correlated with", + "source": "GO:0042311", + "target": "MESH:D012912" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003915", + "label": "Drug", + "name": "dextromethorphan" + }, + { + "id": "DB:DB14682", + "label": "ChemicalSubstance", + "name": "Dextrorphan" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0004969", + "label": "MolecularActivity", + "name": "histamine receptor activity" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D012912", + "label": "Disease", + "name": "Sneezing" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Dextromethorphan#Pharmacology" + ] + }, + { + "comment": "Dextromethorphan's action on histamine receptors has been observed in rat tissues. The drug is indicated in combination with other drugs such as brompheniramine and pseudoephedrine in the treatment of upper respiratory symptoms associated with allergies.", + "directed": true, + "graph": { + "_id": "DB00514_MESH_D065631_1", + "disease": "Allergic rhinitis", + "disease_mesh": "MESH:D065631", + "drug": "dextromethorphan", + "drug_mesh": "MESH:D003915", + "drugbank": "DB:DB00514" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D003915", + "target": "DB:DB14682" + }, + { + "key": "decreases activity of", + "source": "DB:DB14682", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "participates in", + "source": "GO:0004969", + "target": "GO:0042311" + }, + { + "key": "positively correlated with", + "source": "GO:0042311", + "target": "MESH:D065631" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003915", + "label": "Drug", + "name": "dextromethorphan" + }, + { + "id": "DB:DB14682", + "label": "ChemicalSubstance", + "name": "Dextrorphan" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0004969", + "label": "MolecularActivity", + "name": "histamine receptor activity" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D065631", + "label": "Disease", + "name": "Allergic rhinitis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Dextromethorphan#Pharmacology" + ] + }, + { + "comment": "Dextromethorphan's action on histamine receptors has been observed in rat tissues. This drug is indicated in combination with other drugs such as brompheniramine and pseudoephedrine in the treatment of upper respiratory symptoms associated with allergies.", + "directed": true, + "graph": { + "_id": "DB00514_MESH_D012220_1", + "disease": "Rhinitis", + "disease_mesh": "MESH:D012220", + "drug": "dextromethorphan", + "drug_mesh": "MESH:D003915", + "drugbank": "DB:DB00514" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D003915", + "target": "DB:DB14682" + }, + { + "key": "decreases activity of", + "source": "DB:DB14682", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "participates in", + "source": "GO:0004969", + "target": "GO:0042311" + }, + { + "key": "positively correlated with", + "source": "GO:0042311", + "target": "MESH:D012220" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003915", + "label": "Drug", + "name": "dextromethorphan" + }, + { + "id": "DB:DB14682", + "label": "ChemicalSubstance", + "name": "Dextrorphan" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0004969", + "label": "MolecularActivity", + "name": "histamine receptor activity" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D012220", + "label": "Disease", + "name": "Rhinitis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Dextromethorphan#Pharmacology" + ] + }, + { + "comment": "Dextromethorphan acts centrally in the cough center in the medulla to suppress cough (https://pubmed.ncbi.nlm.nih.gov/18294576/). The drug is indicated in combination with guaifenesin as an over the counter product to relieve a cough.", + "directed": true, + "graph": { + "_id": "DB00514_MESH_D003371_1", + "disease": "Cough", + "disease_mesh": "MESH:D003371", + "drug": "dextromethorphan", + "drug_mesh": "MESH:D003915", + "drugbank": "DB:DB00514" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D003915", + "target": "DB:DB14682" + }, + { + "key": "increases activity of", + "source": "DB:DB14682", + "target": "UniProt:Q99720" + }, + { + "key": "decreases activity of", + "source": "DB:DB14682", + "target": "UniProt:P32297" + }, + { + "key": "regulates", + "source": "UniProt:P32297", + "target": "GO:0006939" + }, + { + "key": "correlated with", + "source": "GO:0006939", + "target": "MESH:D003371" + }, + { + "key": "negatively regulates", + "source": "UniProt:Q99720", + "target": "GO:0060004" + }, + { + "key": "positively correlated with", + "source": "GO:0060004", + "target": "MESH:D003371" + } + ], 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+ "graph": { + "_id": "DB00514_MESH_D003139_1", + "disease": "Common cold", + "disease_mesh": "MESH:D003139", + "drug": "dextromethorphan", + "drug_mesh": "MESH:D003915", + "drugbank": "DB:DB00514" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D003915", + "target": "DB:DB14682" + }, + { + "key": "decreases activity of", + "source": "DB:DB14682", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "participates in", + "source": "GO:0004969", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MESH:D003139" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003915", + "label": "Drug", + "name": "dextromethorphan" + }, + { + "id": "DB:DB14682", + "label": "ChemicalSubstance", + "name": "Dextrorphan" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": 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"https://pubmed.ncbi.nlm.nih.gov/8950952/" + ] + }, + { + "comment": "Ibritumomab tiuxetan is an Indium or yttrium conjugated murine IgG1 kappa monoclonal antibody directed against the CD20 antigen, The Fab segment of the antibody targets the CD20 epitope on B-cells, allowing the radioactive yttrium to destroy the cell via production of beta particles.", + "directed": true, + "graph": { + "_id": "DB00078_MESH_D008224_1", + "disease": "Follicular non-Hodgkin's lymphoma", + "disease_mesh": "MESH:D008224", + "drug": "ibritumomab tiuxetan", + "drug_mesh": "MESH:C422802", + "drugbank": "DB:DB00078" + }, + "links": [ + { + "key": "physically interacts with", + "source": "MESH:C422802", + "target": "UniProt:P11836" + }, + { + "key": "positively regulates", + "source": "UniProt:P11836", + "target": "GO:0006959" + }, + { + "key": "coexists with", + "source": "MESH:C422802", + "target": "MESH:D015021" + }, + { + "key": "produces", + "source": "MESH:D015021", + "target": "MESH:D001610" + }, + { + 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Would have been an ideal node for this pair but could not be validated.", + "directed": true, + "graph": { + "_id": "DB00087_MESH_D020529_1", + "disease": "Relapsing remitting multiple sclerosis", + "disease_mesh": "MESH:D020529", + "drug": "alemtuzumab", + "drug_mesh": "MESH:C096529", + "drugbank": "DB:DB00087" + }, + "links": [ + { + "key": "molecularly interacts with", + "source": "MESH:C096529", + "target": "UniProt:P31358" + }, + { + "key": "positively regulates", + "source": "UniProt:P31358", + "target": "GO:0006959" + }, + { + "key": "positively regulates", + "source": "GO:0006959", + "target": "GO:0001788" + }, + { + "key": "precedes", + "source": "GO:0001788", + "target": "GO:0008219" + }, + { + "key": "decreases abundance of", + "source": "GO:0008219", + "target": "CL:0001063" + }, + { + "key": "manifestation of", + "source": "CL:0001063", + "target": "MESH:D020529" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C096529", + "label": "Drug", + "name": 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is currently unclear.", + "directed": true, + "graph": { + "_id": "DB00924_MESH_D009128_1", + "disease": "Spasticity", + "disease_mesh": "MESH:D009128", + "drug": "cyclobenzaprine", + "drug_mesh": "MESH:C004704", + "drugbank": "DB:DB00924" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C004704", + "target": "UniProt:P28223" + }, + { + "key": "decreases activity of", + "source": "MESH:C004704", + "target": "UniProt:P28335" + }, + { + "key": "participates in", + "source": "UniProt:P28223", + "target": "GO:0060096" + }, + { + "key": "participates in", + "source": "UniProt:P28335", + "target": "GO:0060096" + }, + { + "key": "part of", + "source": "GO:0060096", + "target": "UBERON:0025593" + }, + { + "key": "located in", + "source": "UBERON:0025593", + "target": "UBERON:0002240" + }, + { + "key": "positively regulates", + "source": "UBERON:0002240", + "target": "GO:0050883" + }, + { + "key": "correlated with", + "source": "GO:0050883", + "target": "HP:0031826" + 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+ "https://en.wikipedia.org/wiki/Mucoactive_agent", + "https://go.drugbank.com/drugs/DB06715#drug-categories" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01201_MESH_D014397_2", + "disease": "Pulmonary tuberculosis", + "disease_mesh": "MESH:D014397", + "drug": "rifapentine", + "drug_mesh": "MESH:C107057", + "drugbank": "DB:DB01201" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C107057", + "target": "UniProt:P9WGY7" + }, + { + "key": "positively regulates", + "source": "UniProt:P9WGY7", + "target": "GO:0006351" + }, + { + "key": "in taxon", + "source": "GO:0006351", + "target": "taxonomy:1773" + }, + { + "key": "causes", + "source": "taxonomy:1773", + "target": "MESH:D014397" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C107057", + "label": "Drug", + "name": "rifapentine" + }, + { + "id": "UniProt:P9WGY7", + "label": "Protein", + "name": "DNA-directed RNA polymerase subunit beta" + }, + { + "id": "GO:0006351", + "label": 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Both in vitro and in vivo studies seem to suggest acamprosate may interact with glutamate and GABA neurotransmitter systems centrally, and has led to the hypothesis that acamprosate restores this balance (https://pubchem.ncbi.nlm.nih.gov/compound/71158#section=Mechanism-of-Action). The drug may not an effective therapy if be used alone (https://en.wikipedia.org/wiki/Acamprosate#Pharmacodynamics). Acamprosate may influence GABAA transmission via inhibition of presynaptic \u03b3-aminobutyric acid type B (GABAB) receptors (https://pubmed.ncbi.nlm.nih.gov/9514305/).", + "directed": true, + "graph": { + "_id": "DB00659_MESH_D000437_1", + "disease": "Alcoholism", + "disease_mesh": "MESH:D000437", + "drug": "acamprosate", + "drug_mesh": "MESH:C043877", + "drugbank": "DB:DB00659" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C043877", + "target": "UniProt:Q9UBS5" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9UBS5", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0098977" + }, + { + "key": "negatively correlated with", + "source": "GO:0098977", + "target": "HP:0000739" + }, + { + "key": "negatively correlated with", + "source": "HP:0000739", + "target": "MESH:D000437" + }, + { + "key": "negatively regulates", + "source": "MESH:C043877", + "target": "InterPro:IPR001320" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001320", + "target": "GO:0045471" + }, + { + "key": "correlated with", + "source": "GO:0045471", + "target": "MESH:D000437" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C043877", + "label": "Drug", + "name": "acamprosate" + }, + { + "id": "InterPro:IPR001320", + "label": "GeneFamily", + "name": "Ionotropic glutamate receptor" + }, + { + "id": "UniProt:Q9UBS5", + "label": "Protein", + "name": "Gamma-aminobutyric acid type B receptor subunit 1" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "GO:0045471", + "label": "BiologicalProcess", + "name": "response to ethanol" + }, + { + "id": "GO:0098977", + "label": "BiologicalProcess", + "name": "inhibitory chemical synaptic transmission" + }, + { + "id": "HP:0000739", + "label": "PhenotypicFeature", + "name": "Anxiety" + }, + { + "id": "MESH:D000437", + "label": "Disease", + "name": "Alcoholism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00659", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201293/", + "https://en.wikipedia.org/wiki/Acamprosate#Pharmacodynamics", + "https://en.wikipedia.org/wiki/GABAA_receptor#Structure_and_function", + "https://en.wikipedia.org/wiki/Psychoactive_drug#Purposes", + "https://pubmed.ncbi.nlm.nih.gov/22346357/", + "https://pubmed.ncbi.nlm.nih.gov/23278595/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00492_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MESH:D006973", + "drug": "fosinopril", + "drug_mesh": "MESH:D017328", + "drugbank": "DB:DB00492" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D017328", + "target": "MESH:C046965" + }, + { + "key": "negatively regulates", + "source": "MESH:C046965", + "target": "UniProt:P12821" + }, + { + "key": "positively regulates", + "source": 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"label": "Drug", + "name": "etofenamate" + }, + { + "id": "CHEBI:35475", + "label": "ChemicalSubstance", + "name": "non-steroidal anti-inflammatory drug" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "HP:0002829", + "label": "PhenotypicFeature", + "name": "Arthralgia" + }, + { + "id": "MESH:D010003", + "label": "Disease", + "name": "Osteoarthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08984", + "https://en.wikipedia.org/wiki/Etofenamate" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01182_MESH_D001281_1", + "disease": "Paroxysmal atrial fibrillation", + "disease_mesh": "MESH:D001281", + "drug": "propafenone", + "drug_mesh": "MESH:D011405", + "drugbank": "DB:DB01182" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D011405", + "target": "InterPro:IPR001696" + }, + { + "key": "increases transport of", + "source": "InterPro:IPR001696", + "target": "MESH:D012964" + }, + { + "key": "positively regulates", + "source": "MESH:D012964", + "target": "GO:0086001" + }, + { + "key": "positively correlated with", + "source": "GO:0086001", + "target": "GO:0086003" + }, + { + "key": "positively correlated with", + "source": "GO:0086003", + "target": "HP:0004308" + }, + { + "key": "manifestation of", + "source": "HP:0004308", + "target": "MESH:D001281" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011405", + "label": "Drug", + "name": "propafenone" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "MESH:D012964", + "label": "ChemicalSubstance", + "name": "Sodium" + }, + { + "id": "GO:0086001", + "label": "BiologicalProcess", + "name": "Cardiac muscle cell action potential" + }, + { + "id": "GO:0086003", + "label": "BiologicalProcess", + "name": "cardiac muscle 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Sclerosing solutions cause the vein to scar, forcing blood to reroute through healthier veins. The collapsed vein is reabsorbed into local tissue and eventually fades (https://www.mayoclinic.org/tests-procedures/sclerotherapy/about/pac-20384592).", + "directed": true, + "graph": { + "_id": "DB06811_MESH_D014648_1", + "disease": "Venous varices", + "disease_mesh": "MESH:D014648", + "drug": "polidocanol", + "drug_mesh": "MESH:C008976", + "drugbank": "DB:DB06811" + }, + "links": [ + { + "key": "chemically similar to", + "source": "MESH:C008976", + "target": "MESH:D012597" + }, + { + "key": "causes", + "source": "MESH:D012597", + "target": "HP:0100699" + }, + { + "key": "positively correlated with", + "source": "HP:0100699", + "target": "GO:0097709" + }, + { + "key": "negatively correlated with", + "source": "GO:0097709", + "target": "HP:0002619" + }, + { + "key": "manifestation of", + "source": "HP:0002619", + "target": "MESH:D014648" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C008976", + "label": "Drug", + "name": "polidocanol" + }, + { + "id": "MESH:D012597", + 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"https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL777/" + ] + }, + { + "comment": "The drug is not effective by itself as an antibiotic and it can be combined with penicillin-group antibiotics.", + "directed": true, + "graph": { + "_id": "DB00766_MESH_D014552_1", + "disease": "Urinary tract infectious disease", + "disease_mesh": "MESH:D014552", + "drug": "clavulanic acid", + "drug_mesh": "MESH:D019818", + "drugbank": "DB:DB00766" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D019818", + "target": "InterPro:IPR012338" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR012338", + "target": "GO:0008800" + }, + { + "key": "in taxon", + "source": "GO:0008800", + "target": "taxonomy:562" + }, + { + "key": "causes", + "source": "taxonomy:562", + "target": "MESH:D014552" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D019818", + "label": "Drug", + "name": "clavulanic acid" + }, + { + "id": "InterPro:IPR012338", + "label": 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"MESH:D010024", + "label": "Disease", + "name": "Osteoporosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB11620" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB11620_MESH_C562390_1", + "disease": "Humoral hypercalcemia of malignancy", + "disease_mesh": "MESH:C562390", + "drug": "neridronic acid", + "drug_mesh": "MESH:C053389", + "drugbank": "DB:DB11620" + }, + "links": [ + { + "key": "prevents", + "source": "MESH:C053389", + "target": "GO:0045453" + }, + { + "key": "correlated with", + "source": "GO:0045453", + "target": "HP:0004363" + }, + { + "key": "occurs in", + "source": "HP:0004363", + "target": "MESH:C562390" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C053389", + "label": "Drug", + "name": "neridronic acid" + }, + { + "id": "GO:0045453", + "label": "BiologicalProcess", + "name": "bone resorption" + }, + { + "id": "HP:0004363", + "label": "PhenotypicFeature", + "name": "Abnormal circulating calcium concentration" + }, + { + "id": 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However it's not known the exact mechanisms by which (A) glucose deprivation cause ionic imbalance and at the same time sustain neuronal hyperexcitability (i.e., a status associated with higher metabolic demands); and (B) which reduced glucose metabolism can generate seizures while also being anticonvulsant (https://pubmed.ncbi.nlm.nih.gov/29143800/).", + "directed": true, + "graph": { + "_id": "DB09118_MESH_D004831_1", + "disease": "Myoclonic seizure", + "disease_mesh": "MESH:D004831", + "drug": "stiripentol", + "drug_mesh": "MESH:C021092", + "drugbank": "DB:DB09118" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C021092", + "target": "UniProt:P00338" + }, + { + "key": "positively correlated with", + "source": "MESH:C021092", + "target": "MESH:D000066829" + }, + { + "key": "negatively correlated with", + "source": "MESH:D000066829", + "target": "MESH:D004831" + }, + { + "key": "negatively regulates", + "source": "MESH:C021092", + "target": "UniProt:P07195" + }, + { + "key": "positively regulates", + "source": "UniProt:P00338", + "target": "GO:0006090" + }, + { + "key": "positively regulates", + "source": "UniProt:P07195", + "target": "GO:0006090" + }, + { + "key": "regulates", + "source": "GO:0006090", + "target": "GO:0019228" + }, + { + "key": "regulates", + "source": "UniProt:P07195", + "target": "Pfam:PF01007" + }, + { + "key": "regulates", + "source": "UniProt:P00338", + "target": "Pfam:PF01007" + }, + { + "key": "regulates", + "source": "Pfam:PF01007", + "target": "GO:0019228" + }, + { + "key": "positively correlated with", + "source": "UniProt:P00338", + "target": "GO:0019228" + }, + { + "key": "positively correlated with", + "source": "UniProt:P07195", + "target": "GO:0019228" + }, + { + "key": "positively correlated with", + "source": "GO:0019228", + "target": "MESH:D004831" + }, + { + "key": "increases abundance of", + "source": "MESH:C021092", + "target": "CHEBI:16865" + }, + { + "key": "correlated with", + "source": "CHEBI:16865", + "target": "GO:0060077" + }, + { + "key": "negatively correlated with", + "source": "GO:0060077", + "target": "MESH:D004831" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C021092", + "label": "Drug", + "name": "stiripentol" + }, + { + "id": "CHEBI:16865", + "label": "ChemicalSubstance", + "name": "\u03b3-aminobutyric acid" + }, + { + "id": "GO:0060077", + "label": "CellularComponent", + "name": "inhibitory synapse" + }, + { + "id": "UniProt:P00338", + "label": "Protein", + "name": "L-lactate dehydrogenase A chain" + }, + { + "id": "UniProt:P07195", + "label": "Protein", + "name": "L-lactate dehydrogenase B chain" + }, + { + "id": "GO:0006090", + "label": "BiologicalProcess", + "name": "pyruvate metabolic process" + }, + { + "id": "Pfam:PF01007", + "label": "GeneFamily", + "name": "Inward-rectifier potassium ion channel" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "MESH:D000066829", + "label": "BiologicalProcess", + "name": "Neuroprotection" + }, + { + "alt_names": [ + "Epilepsies, Myoclonic", + "Dravet Syndrome" + ], + "id": "MESH:D004831", + "label": "Disease", + "name": "Myoclonic seizure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09118", + "https://en.wikipedia.org/wiki/Stiripentol#Pharmacology", + "https://pubmed.ncbi.nlm.nih.gov/28434133/", + "https://en.wikipedia.org/wiki/Potassium_channel" + ] + }, + { + "comment": "Both UniProt:Q9UL51 and UniProt:Q9Y3Q4 are slow sodium channels, also known as If channels, where 'f' stands for funny, as per the unusual properties compared with other current systems known at the time of their discovery. Note that out of the two proteins, UniProt:Q9Y3Q4 is the most highly expressed in sinoatrial node myocytes (https://pubmed.ncbi.nlm.nih.gov/17999560/).", + "directed": true, + "graph": { + "_id": "DB09083_MESH_D000787_1", + "disease": "Angina pectoris", + "disease_mesh": "MESH:D000787", + "drug": "ivabradine", + "drug_mesh": "MESH:C088408", + "drugbank": "DB:DB09083" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C088408", + "target": "UniProt:Q9UL51" + }, + { + "key": "negatively regulates", + "source": "MESH:C088408", + "target": "UniProt:Q9Y3Q4" + }, + { + "key": "regulates", + "source": "UniProt:Q9UL51", + "target": "GO:0086012" + }, + { + "key": "regulates", + "source": "UniProt:Q9Y3Q4", + "target": "GO:0086012" + }, + { + "key": "regulates", + "source": "GO:0086012", + "target": "GO:0006936" + }, + { + "key": "correlated with", + "source": "GO:0006936", + "target": "MESH:D000787" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C088408", + 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deficiency), such as those cells possessing mutations in the BRCA1 or BRCA2 genes (https://pubmed.ncbi.nlm.nih.gov/28790837/). This drug is a potent vasodilator and it's believed that by dilating tumor-supplying vessels, tumor oxygenation will improve, which in turn it would improve radiotherapy, or increase anticancer drug delivery, as well as improve delivery of PARP inhibitor drugs (rucaparib and others) to the tumor, with consequent increased intra-tumoral PARP inhibition (https://pubmed.ncbi.nlm.nih.gov/25689628/).", + "directed": true, + "graph": { + "_id": "DB12332_MESH_D010051_1", + "disease": "Malignant tumor of ovary", + "disease_mesh": "MESH:D010051", + "drug": "rucaparib", + "drug_mesh": "MESH:C531549", + "drugbank": "DB:DB12332" + }, + "links": [ + { + "key": "negatively correlated with", + "source": "MESH:C531549", + "target": "GO:0016477" + }, + { + "key": "positively correlated with", + "source": "GO:0016477", + "target": "MESH:D010051" + }, + { + "key": "negatively regulates", + "source": "MESH:C531549", + "target": "UniProt:P09874" + }, + { + "key": "negatively regulates", + "source": 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If so, it could be due to as a precursor in the formation of glutathione (https://en.wikipedia.org/wiki/Acetylcysteine#Chemistry), which in turn could have a role in depleting the occurrence of protein aggregation (https://pubmed.ncbi.nlm.nih.gov/15857408/, https://pubmed.ncbi.nlm.nih.gov/33758187/).", + "directed": true, + "graph": { + "_id": "DB06151_MESH_D000686_2", + "disease": "Amyloidosis", + "disease_mesh": "MESH:D000686", + "drug": "acetylcysteine", + "drug_mesh": "MESH:D000111", + "drugbank": "DB:DB06151" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D000111", + "target": "CHEBI:15356" + }, + { + "key": "positively correlated with", + "source": "CHEBI:15356", + "target": "CHEBI:16856" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:16856", + "target": "MESH:D000686" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000111", + "label": "Drug", + "name": "acetylcysteine" + }, + { + "id": "CHEBI:15356", + "label": 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"participates in", + "source": "UniProt:P03372", + "target": "reactome:R-HSA-9018519" + }, + { + "key": "negatively correlated with", + "source": "reactome:R-HSA-9018519", + "target": "HP:0031088" + }, + { + "key": "negatively correlated with", + "source": "reactome:R-HSA-9018519", + "target": "HP:0030683" + }, + { + "key": "manifestation of", + "source": "HP:0030683", + "target": "MESH:D059268" + }, + { + "key": "manifestation of", + "source": "HP:0031088", + "target": "MESH:D059268" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011800", + "label": "Drug", + "name": "quinestrol" + }, + { + "id": "UniProt:P03372", + "label": "Protein", + "name": "Estrogen receptor" + }, + { + "id": "reactome:R-HSA-9018519", + "label": "Pathway", + "name": "Estrogen-dependent gene expression" + }, + { + "id": "HP:0030683", + "label": "PhenotypicFeature", + "name": "Vaginitis" + }, + { + "id": "HP:0031088", + "label": "PhenotypicFeature", + "name": "Vaginal dryness" + }, + { + "id": "MESH:D059268", + "label": "Disease", + "name": "Atrophic vaginitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04575" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00091_MESH_D015352_1", + "disease": "Tear film insufficiency", + "disease_mesh": "MESH:D015352", + "drug": "ciclosporin", + "drug_mesh": "MESH:D016572", + "drugbank": "DB:DB00091" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D016572", + "target": "UniProt:P62937" + }, + { + "key": "participates in", + "source": "UniProt:P62937", + "target": "GO:0005955" + }, + { + "key": "positively regulates", + "source": "GO:0005955", + "target": "GO:0070884" + }, + { + "key": "positively regulates", + "source": "GO:0005955", + "target": "GO:0070884" + }, + { + "key": "positively regulates", + "source": "GO:0070884", + "target": "GO:0032623" + }, + { + "key": "positively regulates", + "source": "GO:0032623", + "target": "GO:0042098" + }, + { + "key": "positively regulates", + 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"https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL160/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00344_MESH_D003866_1", + "disease": "Depressive disorder", + "disease_mesh": "MESH:D003866", + "drug": "protriptyline", + "drug_mesh": "MESH:D011530", + "drugbank": "DB:DB00344" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D011530", + "target": "UniProt:P31645" + }, + { + "key": "decreases activity of", + "source": "MESH:D011530", + "target": "UniProt:P23975" + }, + { + "key": "participates in", + "source": "UniProt:P31645", + "target": "GO:0051610" + }, + { + "key": "participates in", + "source": "UniProt:P23975", + "target": "GO:0051620" + }, + { + "key": "decreases abundance of", + "source": "GO:0051620", + "target": "MESH:D009638" + }, + { + "key": "decreases abundance of", + "source": "GO:0051610", + "target": "MESH:D012701" + }, + { + "key": "positively correlated with", + "source": "MESH:D012701", + "target": "GO:0060096" + }, + { 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"id": "GO:0061533", + "label": "BiologicalProcess", + "name": "Norepinephrine secretion, neurotransmission" + }, + { + "id": "GO:0060096", + "label": "BiologicalProcess", + "name": "Serotonin secretion, neurotransmission" + }, + { + "id": "MESH:D003866", + "label": "Disease", + "name": "Depressive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00344", + "https://en.wikipedia.org/wiki/Protriptyline", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL668/" + ] + }, + { + "comment": "Primidone MoA is unknown. Its major metabolite are, phenobarbital and Phenylethylmalonamide, which are likely contributes to primidone's effects in many forms of epilepsy.", + "directed": true, + "graph": { + "_id": "DB00794_MESH_D004828_1", + "disease": "Simple partial seizure", + "disease_mesh": "MESH:D004828", + "drug": "primidone", + "drug_mesh": "MESH:D011324", + "drugbank": "DB:DB00794" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D011324", + "target": "CHEBI:8069" + }, + { + "key": "has metabolite", + "source": "MESH:D011324", + "target": "CHEBI:8097" + }, + { + "key": "increases activity of", + "source": "CHEBI:8069", + "target": "InterPro:IPR006028" + }, + { + "key": "increases activity of", + "source": "CHEBI:8097", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "participates in", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "positively correlated with", + "source": "GO:0022851", + "target": "GO:0060081" + }, + { + "key": "negatively regulates", + "source": "GO:0060081", + "target": "GO:0019228" + }, + { + "key": "contributes to", + "source": "GO:0019228", + "target": "GO:0050806" + }, + { + "key": "positively correlated with", + "source": "GO:0050806", + "target": "MESH:D004828" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011324", + "label": "Drug", + "name": "primidone" + }, + { + "id": "CHEBI:8069", + "label": "ChemicalSubstance", + "name": "phenobarbital" + }, + { + "id": "CHEBI:8097", + "label": "ChemicalSubstance", + "name": "Phenylethylmalonamide" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "GO:0022851", + "label": "MolecularActivity", + "name": "GABA-gated chloride ion channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "GO:0050806", + "label": "BiologicalProcess", + "name": "positive regulation of synaptic transmission" + }, + { + "id": "MESH:D004828", + "label": "Disease", + "name": "Simple partial seizure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00794", + "https://en.wikipedia.org/wiki/Primidone#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL856/" + ] + }, + { + "comment": "Primidone MoA is unknown. Its major metabolite are, phenobarbital and Phenylethylmalonamide, which are likely contributes to primidone's effects in many forms of epilepsy.", + "directed": true, + "graph": { + "_id": "DB00794_MESH_D004827_1", + "disease": "Epilepsy", + "disease_mesh": "MESH:D004827", + "drug": "primidone", + "drug_mesh": "MESH:D011324", + "drugbank": "DB:DB00794" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D011324", + "target": "CHEBI:8069" + }, + { + "key": "has metabolite", + "source": "MESH:D011324", + "target": "CHEBI:8097" + }, + { + "key": "increases activity of", + "source": "CHEBI:8069", + "target": "InterPro:IPR006028" + }, + { + "key": "increases activity of", + "source": "CHEBI:8097", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "participates in", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "positively correlated with", + "source": "GO:0022851", + "target": "GO:0060081" + }, + { + "key": "negatively regulates", + "source": "GO:0060081", + "target": "GO:0019228" + }, + { + "key": "contributes to", + "source": "GO:0019228", + "target": "GO:0050806" + }, + { + "key": "positively correlated with", + "source": "GO:0050806", + "target": "MESH:D004827" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011324", + "label": "Drug", + "name": "primidone" + }, + { + "id": "CHEBI:8069", + "label": "ChemicalSubstance", + "name": "phenobarbital" + }, + { + "id": "CHEBI:8097", + "label": "ChemicalSubstance", + "name": "Phenylethylmalonamide" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "GO:0022851", + "label": "MolecularActivity", + "name": "GABA-gated chloride ion channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "GO:0050806", + "label": "BiologicalProcess", + "name": "positive regulation of synaptic transmission" + }, + { + "id": "MESH:D004827", + "label": "Disease", + "name": "Epilepsy" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00794", + "https://en.wikipedia.org/wiki/Primidone#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL856/" + ] + }, + { + "comment": "Primidone MoA is unknown. Its major metabolite are, phenobarbital and Phenylethylmalonamide, which are likely contributes to primidone's effects in many forms of epilepsy.", + "directed": true, + "graph": { + "_id": "DB00794_MESH_D012640_1", + "disease": "Tonic-clonic seizure", + "disease_mesh": "MESH:D012640", + "drug": "primidone", + "drug_mesh": "MESH:D011324", + "drugbank": "DB:DB00794" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D011324", + "target": "CHEBI:8069" + }, + { + "key": "has metabolite", + "source": "MESH:D011324", + "target": "CHEBI:8097" + }, + { + "key": "increases activity of", + "source": "CHEBI:8069", + "target": "InterPro:IPR006028" + }, + { + "key": "increases activity of", + "source": "CHEBI:8097", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "participates in", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "positively correlated with", + "source": "GO:0022851", + "target": "GO:0060081" + }, + { + "key": "negatively regulates", + "source": "GO:0060081", + "target": "GO:0019228" + }, + { + "key": "contributes to", + "source": "GO:0019228", + "target": "GO:0050806" + }, + { + "key": "positively correlated with", + "source": "GO:0050806", + "target": "MESH:D012640" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011324", + "label": "Drug", + "name": "primidone" + }, + { + "id": "CHEBI:8069", + "label": "ChemicalSubstance", + "name": "phenobarbital" + }, + { + "id": "CHEBI:8097", + "label": "ChemicalSubstance", + "name": "Phenylethylmalonamide" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "GO:0022851", + "label": "MolecularActivity", + "name": "GABA-gated chloride ion channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "GO:0050806", + "label": "BiologicalProcess", + "name": "positive regulation of synaptic transmission" + }, + { + "id": "MESH:D012640", + "label": "Disease", + "name": "Tonic-clonic seizure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00794", + "https://en.wikipedia.org/wiki/Primidone#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL856/" + ] + }, + { + "comment": "Primidone MoA is unknown. Its major metabolite are, phenobarbital and Phenylethylmalonamide, which are likely contributes to primidone's effects in many forms of epilepsy.", + "directed": true, + "graph": { + "_id": "DB00794_MESH_D065768_1", + "disease": "Lennox-Gastaut syndrome", + "disease_mesh": "MESH:D065768", + "drug": "primidone", + "drug_mesh": "MESH:D011324", + "drugbank": "DB:DB00794" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D011324", + "target": "CHEBI:8069" + }, + { + "key": "has metabolite", + "source": "MESH:D011324", + "target": "CHEBI:8097" + }, + { + "key": "increases activity of", + "source": "CHEBI:8069", + "target": "InterPro:IPR006028" + }, + { + "key": "increases activity of", + "source": "CHEBI:8097", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "participates in", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "positively correlated with", + "source": "GO:0022851", + "target": "GO:0060081" + }, + { + "key": "negatively regulates", + "source": "GO:0060081", + "target": "GO:0019228" + }, + { + "key": "contributes to", + "source": "GO:0019228", + "target": "GO:0050806" + }, + { + "key": "positively correlated with", + "source": "GO:0050806", + "target": "MESH:D065768" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011324", + "label": "Drug", + "name": "primidone" + }, + { + "id": "CHEBI:8069", + "label": "ChemicalSubstance", + "name": "phenobarbital" + }, + { + "id": "CHEBI:8097", + "label": "ChemicalSubstance", + "name": "Phenylethylmalonamide" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "GO:0022851", + "label": "MolecularActivity", + "name": "GABA-gated chloride ion channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "GO:0050806", + "label": "BiologicalProcess", + "name": "positive regulation of synaptic transmission" + }, + { + "id": "MESH:D065768", + "label": "Disease", + "name": "Lennox-Gastaut syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00794", + "https://en.wikipedia.org/wiki/Primidone#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL856/" + ] + }, + { + "comment": "Primidone MoA is unknown. Its major metabolite are, phenobarbital and Phenylethylmalonamide, which are likely contributes to primidone's effects in many forms of epilepsy.", + "directed": true, + "graph": { + "_id": "DB00794_MESH_D004830_1", + "disease": "Tonic-clonic epilepsy", + "disease_mesh": "MESH:D004830", + "drug": "primidone", + "drug_mesh": "MESH:D011324", + "drugbank": "DB:DB00794" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D011324", + "target": "CHEBI:8069" + }, + { + "key": "has metabolite", + "source": "MESH:D011324", + "target": "CHEBI:8097" + }, + { + "key": "increases activity of", + "source": "CHEBI:8069", + "target": "InterPro:IPR006028" + }, + { + "key": "increases activity of", + "source": "CHEBI:8097", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "participates in", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "positively 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But dirithromycin is active only against bacterial infections", + "directed": true, + "graph": { + "_id": "DB00954_MESH_D014069_1", + "disease": "Tonsillitis", + "disease_mesh": "MESH:D014069", + "drug": "dirithromycin", + "drug_mesh": "MESH:C053853", + "drugbank": "DB:DB00954" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:C053853", + "target": "MESH:C007626" + }, + { + "key": "negatively regulates", + "source": "MESH:C007626", + "target": "UniProt:P0A7J3" + }, + { + "key": "negatively regulates", + "source": "MESH:C007626", + "target": "MESH:D012338" + }, + { + "key": "located in", + "source": "UniProt:P0A7J3", + "target": "GO:0005840" + }, + { + "key": "located in", + "source": "MESH:D012338", + "target": "GO:0005840" + }, + { + "key": "positively regulates", + "source": "GO:0005840", + "target": "GO:0006412" + }, + { + "key": "positively correlated with", + "source": "GO:0006412", + "target": "GO:0051301" + }, + { + "key": "occurs in", + "source": "GO:0051301", + "target": "taxonomy:2" + }, + { + "key": "causes", + "source": "taxonomy:2", + "target": "MESH:D014069" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C053853", + "label": "Drug", + "name": "dirithromycin" + }, + { + "id": "MESH:C007626", + "label": "ChemicalSubstance", + "name": "erythromyclamine" + }, + { + "id": "UniProt:P0A7J3", + "label": "Protein", + "name": "50S ribosomal protein L10" + }, + { + "id": "MESH:D012338", + "label": "ChemicalSubstance", + "name": "RNA, Ribosomal, 23S" + }, + { + "id": "GO:0005840", + "label": "CellularComponent", + "name": "Ribosome" + }, + { + "id": "GO:0006412", + "label": "BiologicalProcess", + "name": "Translation" + }, + { + "id": "GO:0051301", + "label": "BiologicalProcess", + "name": "cell division" + }, + { + "id": "taxonomy:2", + "label": "OrganismTaxon", + "name": "Bacteria" + }, + { + "id": "MESH:D014069", + "label": "Disease", + "name": "Tonsillitis" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1237072/", + "https://go.drugbank.com/drugs/DB00954", + "https://pubchem.ncbi.nlm.nih.gov/compound/6473883", + "https://en.wikipedia.org/wiki/Dirithromycin" + ] + }, + { + "comment": "glibenclamide is alo known as Glyburide and is a sulfonylurea-type anti-diabetic drug.", + "directed": true, + "graph": { + "_id": "DB01016_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MESH:D003924", + "drug": "glibenclamide", + "drug_mesh": "MESH:D005905", + "drugbank": "DB:DB01016" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D005905", + "target": "UniProt:Q14654" + }, + { + "key": "participates in", + "source": "UniProt:Q14654", + "target": "GO:0060081" + }, + { + "key": "decreases activity of", + "source": "MESH:D005905", + "target": "UniProt:Q09428" + }, + { + "key": "participates in", + "source": "UniProt:Q09428", + "target": "GO:0060081" + }, + { + "key": "negatively regulates", + "source": "GO:0060081", + "target": "GO:0070509" + }, + { + "key": "positively regulates", + "source": "GO:0070509", + "target": "GO:0030073" + }, + { + "key": "negatively correlated with", + "source": "GO:0030073", + "target": "HP:0003074" + }, + { + "key": "manifestation of", + "source": "HP:0003074", + "target": "MESH:D003924" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005905", + "label": "Drug", + "name": "glibenclamide" + }, + { + "id": "UniProt:Q14654", + "label": "Protein", + "name": "ATP-sensitive inward rectifier potassium channel 11" + }, + { + "id": "UniProt:Q09428", + "label": "Protein", + "name": "ATP-binding cassette sub-family C member 8" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "Membrane hyperpolarization" + }, + { + "id": "GO:0070509", + "label": "BiologicalProcess", + "name": "Transmembrane calcium influx" + }, + { + "id": "GO:0030073", + "label": "BiologicalProcess", + "name": "Insulin secretion" + }, + { + "id": "HP:0003074", + "label": "PhenotypicFeature", + "name": "Hyperglycemia" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01016", + "https://en.wikipedia.org/wiki/Sulfonylurea", + "https://en.wikipedia.org/wiki/Glibenclamide", + "https://pubchem.ncbi.nlm.nih.gov/compound/3488", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL472/" + ] + }, + { + "comment": "Dalfopristin is a combination of two antibiotics (Dalfopristin and quinupristin) used to treat infections by staphylococci and by vancomycin-resistant Enterococcus faecium.", + "directed": true, + "graph": { + "_id": "DB01764_MESH_D013290_1", + "disease": "Streptococcus pyogenes infection", + "disease_mesh": "MESH:D013290", + "drug": "dalfopristin", + "drug_mesh": "MESH:C113826", + "drugbank": "DB:DB01764" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C113826", + "target": "UniProt:Q9A1X4" + }, 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+ "name": "Streptococcus pyogenes" + }, + { + "id": "MESH:D013290", + "label": "Disease", + "name": "Streptococcus pyogenes infection" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1200937/", + "https://go.drugbank.com/drugs/DB01764", + "https://pubmed.ncbi.nlm.nih.gov/15991995/", + "https://en.wikipedia.org/wiki/Dalfopristin" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB04878_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MESH:D003924", + "drug": "voglibose", + "drug_mesh": "MESH:C102817", + "drugbank": "DB:DB04878" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C102817", + "target": "UniProt:O43451" + }, + { + "key": "decreases activity of", + "source": "MESH:C102817", + "target": "UniProt:P10253" + }, + { + "key": "decreases activity of", + "source": "MESH:C102817", + "target": "UniProt:P14410" + }, + { + "key": "decreases activity of", + "source": "MESH:C102817", + "target": 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alpha-glucosidase" + }, + { + "id": "UniProt:P14410", + "label": "Protein", + "name": "Sucrase-isomaltase, intestinal" + }, + { + "id": "UniProt:Q2M2H8", + "label": "Protein", + "name": "Probable maltase-glucoamylase 2" + }, + { + "id": "GO:0044245", + "label": "BiologicalProcess", + "name": "Polysaccharide digestion" + }, + { + "id": "GO:0106001", + "label": "BiologicalProcess", + "name": "Intestinal hexose absorption" + }, + { + "id": "MESH:D001786", + "label": "ChemicalSubstance", + "name": "Blood Glucose" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04878", + "https://pubmed.ncbi.nlm.nih.gov/19208898/", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL476960/" + ] + }, + { + "comment": "No direct evidence available that support voglibose MoA for Gaucher Disease. However there is a hypothesis that the combination of small \u03b1-glucosidase inhibitors as pharmacological chaperones (PCs) with enzyme replacement therapy (ERT) has been shown to have a synergic effect in improved enzyme activity and reduction of toxic metabolites in Pompe's disease or Gaucher disease.", + "directed": true, + "graph": { + "_id": "DB04878_MESH_D005776_1", + "disease": "Glucosylceramide beta-glucosidase deficiency", + "disease_mesh": "MESH:D005776", + "drug": "voglibose", + "drug_mesh": "MESH:C102817", + "drugbank": "DB:DB04878" + }, + "links": [ + { + "key": "increases degradation of", + "source": "MESH:C102817", + "target": "MESH:D005963" + }, + { + "key": "causes", + "source": "MESH:D005963", + "target": "MESH:D005776" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C102817", + "label": "Drug", + "name": "voglibose" + }, + { + "id": "MESH:D005963", + "label": "ChemicalSubstance", + "name": "Glucosylceramides" + }, + { + "alt_names": [ + "Gaucher Disease" + ], + "id": "MESH:D005776", + "label": "Disease", + "name": "Glucosylceramide beta-glucosidase deficiency" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04878", + "https://academic.oup.com/glycob/article/13/10/93R/554319", + "https://bit.ly/3EEGL6O" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06412_MESH_D000741_1", + "disease": "Aplastic anemia", + "disease_mesh": "MESH:D000741", + "drug": "oxymetholone", + "drug_mesh": "MESH:D010110", + "drugbank": "DB:DB06412" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D010110", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0030521" + }, + { + "key": "positively regulates", + "source": "GO:0030521", + "target": "GO:0042541" + }, + { + "key": "positively regulates", + "source": "GO:0030521", + "target": "GO:0030218" + }, + { + "key": "negatively correlated with", + "source": "GO:0042541", + "target": "MESH:D000741" + }, + { + "key": "negatively correlated with", + "source": "GO:0030218", + "target": "MESH:D000741" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010110", + "label": "Drug", + "name": "oxymetholone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0030521", + "label": "BiologicalProcess", + "name": "Androgen receptor signaling pathway" + }, + { + "id": "GO:0042541", + "label": "BiologicalProcess", + "name": "hemoglobin biosynthetic process" + }, + { + "id": "GO:0030218", + "label": "BiologicalProcess", + "name": "erythrocyte differentiation" + }, + { + "id": "MESH:D000741", + "label": "Disease", + "name": "Aplastic anemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06412", + "https://pubchem.ncbi.nlm.nih.gov/compound/5281034", + "https://en.wikipedia.org/wiki/Oxymetholone", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1200585/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06412_MESH_D029503_1", + "disease": "Congenital hypoplastic anemia", + "disease_mesh": "MESH:D029503", + "drug": "oxymetholone", + "drug_mesh": "MESH:D010110", + "drugbank": "DB:DB06412" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:D010110", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0030521" + }, + { + "key": "positively regulates", + "source": "GO:0030521", + "target": "GO:0042541" + }, + { + "key": "positively regulates", + "source": "GO:0030521", + "target": "GO:0030218" + }, + { + "key": "negatively correlated with", + "source": "GO:0042541", + "target": "MESH:D029503" + }, + { + "key": "negatively correlated with", + "source": "GO:0030218", + "target": "MESH:D029503" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010110", + "label": "Drug", + "name": "oxymetholone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0030521", + "label": "BiologicalProcess", + "name": "Androgen receptor signaling pathway" + }, + { + "id": "GO:0042541", + "label": "BiologicalProcess", + "name": "hemoglobin biosynthetic process" + }, + { + "id": "GO:0030218", + "label": "BiologicalProcess", + "name": "erythrocyte differentiation" + }, + { + "id": "MESH:D029503", + "label": "Disease", + "name": "Congenital hypoplastic anemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06412", + "https://pubchem.ncbi.nlm.nih.gov/compound/5281034", + "https://en.wikipedia.org/wiki/Oxymetholone", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1200585/" + ] + }, + { + "comment": "The main components of OM3-CA, eicosapentaenoic acid, and docosahexaenoic acid, are poor substrates for the enzymes responsible for the synthesis of triglycerides (TG). 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+ "_id": "DB04855_MESH_D001281_1", + "disease": "Atrial fibrillation", + "disease_mesh": "MESH:D001281", + "drug": "dronedarone", + "drug_mesh": "MESH:C118667", + "drugbank": "DB:DB04855" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C118667", + "target": "InterPro:IPR001696" + }, + { + "key": "negatively regulates", + "source": "MESH:C118667", + "target": "InterPro:IPR005446" + }, + { + "key": "negatively regulates", + "source": "MESH:C118667", + "target": "UniProt:Q9Y3Q4" + }, + { + "key": "negatively regulates", + "source": "MESH:C118667", + "target": "UniProt:P63252" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061337" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005446", + "target": "GO:0061337" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9Y3Q4", + "target": "GO:0061337" + }, + { + "key": "positively regulates", + "source": "UniProt:P63252", + "target": "GO:0061337" + }, + { + "key": "positively correlated with", + "source": "GO:0061337", + "target": "HP:0001692" + }, + { + "key": "manifestation of", + "source": "HP:0001692", + "target": "MESH:D001281" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C118667", + "label": "Drug", + "name": "dronedarone" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "InterPro:IPR005446", + "label": "GeneFamily", + "name": "Voltage-dependent calcium channel, L-type, alpha-1 subunit" + }, + { + "id": "UniProt:Q9Y3Q4", + "label": "Protein", + "name": "Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4" + }, + { + "id": "UniProt:P63252", + "label": "Protein", + "name": "Inward rectifier potassium channel 2" + }, + { + "id": "GO:0061337", + "label": "BiologicalProcess", + "name": "cardiac conduction" + }, + { + "id": "HP:0001692", + "label": "PhenotypicFeature", + "name": "Atrial arrhythmia" + }, + { + "id": "MESH:D001281", + "label": "Disease", + "name": "Atrial fibrillation" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL184412/", + "https://en.wikipedia.org/wiki/Dronedarone#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB05578_MESH_D002289_1", + "disease": "Non-small cell lung cancer", + "disease_mesh": "MESH:D002289", + "drug": "ramucirumab", + "drug_mesh": "MESH:C543333", + "drugbank": "DB:DB05578" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C543333", + "target": "UniProt:P35968" + }, + { + "key": "positively regulates", + "source": "UniProt:P35968", + "target": "GO:0001525" + }, + { + "key": "positively correlated with", + "source": "GO:0001525", + "target": "MESH:D002289" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C543333", + "label": "Drug", + "name": "ramucirumab" + }, + { + "id": "UniProt:P35968", + "label": "Protein", + "name": "Vascular endothelial growth factor receptor 2" + }, + { + "id": "GO:0001525", + "label": "BiologicalProcess", + "name": "angiogenesis" + }, + { + "id": "MESH:D002289", + "label": "Disease", + "name": "Non-small cell lung cancer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB05578", + "https://en.wikipedia.org/wiki/Ramucirumab#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06203_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MESH:D003924", + "drug": "alogliptin", + "drug_mesh": "MESH:C520853", + "drugbank": "DB:DB06203" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C520853", + "target": "UniProt:P27487" + }, + { + "key": "participates in", + "source": "UniProt:P27487", + "target": "reactome:R-HSA-381771" + }, + { + "key": "participates in", + "source": "UniProt:P27487", + "target": "reactome:R-HSA-400511" + }, + { + "key": "negatively correlated with", + "source": "reactome:R-HSA-381771", + "target": "GO:0030073" + }, + { + "key": "negatively correlated with", + "source": "reactome:R-HSA-400511", + "target": "GO:0030073" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-381771", + "target": "GO:0070091" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-400511", + "target": "GO:0070091" + }, + { + "key": "positively correlated with", + "source": "GO:0070091", + "target": "MESH:D003924" + }, + { + "key": "negatively correlated with", + "source": "GO:0030073", + "target": "MESH:D003924" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C520853", + "label": "Drug", + "name": "alogliptin" + }, + { + "id": "UniProt:P27487", + "label": "Protein", + "name": "Dipeptidyl peptidase 4" + }, + { + "id": "reactome:R-HSA-381771", + "label": "Pathway", + "name": "Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1)" + }, + { + "id": "reactome:R-HSA-400511", + "label": "Pathway", + "name": "Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polypeptide (GIP)" + }, + { + "id": "GO:0030073", + "label": "BiologicalProcess", + "name": "Insulin Secretion" + }, + { + "id": "GO:0070091", + "label": "BiologicalProcess", + "name": "glucagon secretion" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06203" + ] + }, + { + "comment": "Butriptyline may seem to be very weak at blocking any biogenic amine uptake, including serotonin (https://pubmed.ncbi.nlm.nih.gov/6499924/).", + "directed": true, + "graph": { + "_id": "DB09016_MESH_D003866_1", + "disease": "Depressive disorder", + "disease_mesh": "MESH:D003866", + "drug": "butriptyline", + "drug_mesh": "MESH:C100242", + "drugbank": "DB:DB09016" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C100242", + "target": "UniProt:P23975" + }, + { + "key": "negatively regulates", + "source": "MESH:C100242", + "target": "UniProt:P31645" + }, + { + "key": "positively regulates", + "source": "UniProt:P23975", + "target": "GO:0051934" + }, + { + "key": "positively regulates", + "source": "UniProt:P31645", + "target": "GO:0051610" + }, + { + "key": "positively correlated with", + "source": "GO:0051610", + "target": "MESH:D003866" + }, + { + "key": "positively correlated with", + "source": "GO:0051934", + "target": "MESH:D003866" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C100242", + "label": "Drug", + "name": "butriptyline" + }, + { + "id": "UniProt:P31645", + "label": "Protein", + "name": "Sodium-dependent serotonin transporter" + }, + { + "id": "UniProt:P23975", + "label": "Protein", + "name": "Sodium-dependent noradrenaline transporter" + }, + { + "id": "GO:0051610", + "label": "BiologicalProcess", + "name": "serotonin uptake" + }, + { + "id": "GO:0051934", + "label": "BiologicalProcess", + "name": "catecholamine uptake involved in synaptic transmission" + }, + { + "id": "MESH:D003866", + "label": "Disease", + "name": "Depressive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09016", + "https://en.wikipedia.org/wiki/Butriptyline#Pharmacodynamics", + "https://pubchem.ncbi.nlm.nih.gov/compound/21772#section=MeSH-Pharmacological-Classification" + ] + }, + { + "comment": "Withdrawn due to hepatotoxicity (https://en.wikipedia.org/wiki/Mebanazine).", + "directed": true, + "graph": { + "_id": "DB09248_MESH_D003866_1", + "disease": "Depressive disorder", + "disease_mesh": "MESH:D003866", + "drug": "mebanazine", + "drug_mesh": "MESH:C004343", + "drugbank": "DB:DB09248" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C004343", + "target": "UniProt:P21397" + }, + { + "key": "negatively regulates", + "source": "MESH:C004343", + "target": "UniProt:P27338" + }, + { + "key": "positively regulates", + "source": "UniProt:P21397", + "target": "GO:0042135" + }, + { + "key": "positively regulates", + "source": "UniProt:P27338", + "target": "GO:0042135" + }, + { + "key": "positively correlated with", + "source": "GO:0042135", + "target": "MESH:D003866" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C004343", + "label": "Drug", + "name": "mebanazine" + }, + { + "id": "UniProt:P21397", + "label": "Protein", + "name": "Amine oxidase [flavin-containing] A" + }, + { + "id": "UniProt:P27338", + "label": "Protein", + "name": "Amine oxidase [flavin-containing] B" + }, + { + "id": "GO:0042135", + "label": "BiologicalProcess", + "name": "neurotransmitter catabolic process" + }, + { + "id": "MESH:D003866", + "label": "Disease", + "name": "Depressive disorder" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1909283/", + "https://en.wikipedia.org/wiki/Monoamine_oxidase_inhibitor#Mechanism_of_action" + ] + }, + { + "comment": "Cobicistat does not have any anti-HIV activity on its own; it acts as a pharmacokinetic enhancer by inhibiting cytochrome P450 3A isoforms (CYP3A) and therefore increases the systemic exposure of coadministered agents that are metabolized by CYP3A enzymes (https://pubchem.ncbi.nlm.nih.gov/compound/25151504#section=Mechanism-of-Action)", + "directed": true, + "graph": { + "_id": "DB09065_MESH_D015658_2", + "disease": "Human immunodeficiency virus infection", + "disease_mesh": "MESH:D015658", + "drug": "cobicistat", + "drug_mesh": "MESH:D000069547", + "drugbank": "DB:DB09065" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000069547", + "target": "InterPro:IPR001128\ufeff" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001128\ufeff", + "target": "GO:0042178" + }, + { + "key": "decreases abundance of", + "source": "GO:0042178", + "target": "CHEBI:22587" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:22587", + "target": "MESH:D015658" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069547", + "label": "Drug", + "name": "cobicistat" + }, + { + "id": "InterPro:IPR001128\ufeff", + "label": "GeneFamily", + "name": "Cytochrome P450" + }, + { + "id": "GO:0042178", + "label": "BiologicalProcess", + "name": "xenobiotic catabolic process" + }, + { + "id": "CHEBI:22587", + "label": "ChemicalSubstance", + "name": "antiviral agent" + }, + { + "id": "MESH:D015658", + "label": "Disease", + "name": "Human immunodeficiency virus infection" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09065", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL2095208/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09220_MESH_D000787_1", + "disease": "Angina pectoris", + "disease_mesh": "MESH:D000787", + "drug": "nicorandil", + "drug_mesh": "MESH:D020108", + "drugbank": "DB:DB09220" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D020108", + "target": "UniProt:O60706" + }, + { + "key": "positively regulates", + "source": "UniProt:O60706", + "target": "GO:0061337" + }, + { + "key": "positively regulates", + "source": "UniProt:O60706", + "target": "GO:0042311" + }, + { + "key": "negatively correlated with", + "source": "GO:0042311", + "target": "MESH:D000787" + }, + { + "key": "negatively correlated with", + "source": "GO:0061337", + "target": "MESH:D000787" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D020108", + "label": "Drug", + "name": "nicorandil" + }, + { + "id": "UniProt:O60706", + "label": "Protein", + "name": "ATP-binding cassette sub-family C member 9" + }, + { + "id": "GO:0061337", + "label": "BiologicalProcess", + "name": "cardiac conduction" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D000787", + "label": "Disease", + "name": "Angina pectoris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09220", + "https://en.wikipedia.org/wiki/Nicorandil#Mechanism_of_action", + "https://pubchem.ncbi.nlm.nih.gov/compound/47528#section=Mechanism-of-Action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB12243_MESH_D000690_1", + "disease": "Amyotrophic lateral sclerosis", + "disease_mesh": "MESH:D000690", + "drug": "edaravone", + "drug_mesh": "MESH:C005435", + "drugbank": "DB:DB12243" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:C005435", + "target": "GO:0019430" + }, + { + "key": "subclass of", + "source": "MESH:C005435", + "target": "CHEBI:63726" + }, + { + "key": "subclass of", + "source": "MESH:C005435", + "target": "CHEBI:66980" + }, + { + "key": "negatively correlated with", + "source": "GO:0019430", + "target": "MESH:D000690" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:63726", + "target": "MESH:D000690" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:66980", + "target": "MESH:D000690" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005435", + "label": "Drug", + "name": "edaravone" + }, + { + "id": "GO:0019430", + "label": "BiologicalProcess", + "name": "removal of superoxide radicals" + }, + { + "id": "CHEBI:63726", + "label": "ChemicalSubstance", + "name": "neuroprotective agent" + }, + { + "id": "CHEBI:66980", + "label": "ChemicalSubstance", + "name": "nootropic agent" + }, + { + "id": "MESH:D000690", + "label": "Disease", + "name": "Amyotrophic lateral sclerosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB12243", + "https://en.wikipedia.org/wiki/Edaravone#Pharmacology", + "https://pubchem.ncbi.nlm.nih.gov/compound/4021#section=Mechanism-of-Action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB12846_MESH_D001249_1", + "disease": "Asthma", + "disease_mesh": "MESH:D001249", + "drug": "reproterol", + "drug_mesh": "MESH:C014792", + "drugbank": "DB:DB12846" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C014792", + "target": "UniProt:P07550" + }, + { + "key": "positively regulates", + "source": "UniProt:P07550", + "target": "GO:0044557" + }, + { + "key": "negatively correlated with", + "source": "GO:0044557", + "target": "MESH:D001249" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C014792", + "label": "Drug", + "name": "reproterol" + }, + { + "id": "UniProt:P07550", + "label": "Protein", + "name": "Beta-2 adrenergic receptor" + }, + { + "id": "GO:0044557", + "label": "BiologicalProcess", + "name": "relaxation of smooth muscle" + }, + { + "id": "MESH:D001249", + "label": "Disease", + "name": "Asthma" + } + ], + "reference": [ + "https://pubchem.ncbi.nlm.nih.gov/compound/25654#section=MeSH-Pharmacological-Classification", + "https://en.wikipedia.org/wiki/Reproterol" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00437_MESH_D006073_1", + "disease": "Gout", + "disease_mesh": "MESH:D006073", + "drug": "allopurinol", + "drug_mesh": "MESH:D000493", + "drugbank": "DB:DB00437" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000493", + "target": "UniProt:P47989" + }, + { + "key": "participates in", + "source": "UniProt:P47989", + "target": "reactome:R-HSA-74259" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-74259", + "target": "CHEBI:27226" + }, + { + "key": "positively correlated with", + "source": "CHEBI:27226", + "target": "MESH:D006073" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000493", + "label": "Drug", + "name": "allopurinol" + }, + { + "id": "UniProt:P47989", + "label": "Protein", + "name": "Xanthine dehydrogenase/oxidase" + }, + { + "id": "reactome:R-HSA-74259", + "label": "Pathway", + "name": "Purine catabolism" + }, + { + "id": "CHEBI:27226", + "label": "ChemicalSubstance", + "name": "uric acid" + }, + { + "id": "MESH:D006073", + "label": "Disease", + "name": "Gout" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00437", + "https://en.wikipedia.org/wiki/Allopurinol#Mechanism_of_action" + ] + }, + { + "comment": "MESH:D015210 is denominated as Arthritis, Gouty in the MESH website and defined as \"Arthritis, especially of the great toe, as a result of gout. \" (https://meshb.nlm.nih.gov/record/ui?ui=D015210).", + "directed": true, + "graph": { + "_id": "DB00437_MESH_D015210_1", + "disease": "Articular gout", + "disease_mesh": "MESH:D015210", + "drug": "allopurinol", + "drug_mesh": "MESH:D000493", + "drugbank": "DB:DB00437" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000493", + "target": "UniProt:P47989" + }, + { + "key": "participates in", + "source": "UniProt:P47989", + "target": "reactome:R-HSA-74259" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-74259", + "target": "CHEBI:27226" + }, + { + "key": "positively correlated with", + "source": "CHEBI:27226", + "target": "HP:0001854" + }, + { + "key": "manifestation of", + "source": "HP:0001854", + "target": "MESH:D015210" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000493", + "label": "Drug", + "name": "allopurinol" + }, + { + "id": "UniProt:P47989", + "label": "Protein", + "name": "Xanthine dehydrogenase/oxidase" + }, + { + "id": "reactome:R-HSA-74259", + "label": "Pathway", + "name": "Purine catabolism" + }, + { + "id": "CHEBI:27226", + "label": "ChemicalSubstance", + "name": "uric acid" + }, + { + "id": "HP:0001854", + "label": "PhenotypicFeature", + "name": "Podagra" + }, + { + "id": "MESH:D015210", + "label": "Disease", + "name": "Articular gout" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00437", + "https://en.wikipedia.org/wiki/Allopurinol#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00437_MESH_D033461_1", + "disease": "Hyperuricemia", + "disease_mesh": "MESH:D033461", + "drug": "allopurinol", + "drug_mesh": "MESH:D000493", + "drugbank": "DB:DB00437" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000493", + "target": "UniProt:P47989" + }, + { + "key": "participates in", + "source": "UniProt:P47989", + "target": "reactome:R-HSA-74259" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-74259", + "target": "CHEBI:27226" + }, + { + "key": "positively correlated with", + "source": "CHEBI:27226", + "target": "MESH:D033461" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000493", + "label": "Drug", + "name": "allopurinol" + }, + { + "id": "UniProt:P47989", + "label": "Protein", + "name": "Xanthine dehydrogenase/oxidase" + }, + { + "id": "reactome:R-HSA-74259", + "label": "Pathway", + "name": "Purine catabolism" + }, + { + "id": "CHEBI:27226", + "label": "ChemicalSubstance", + "name": "uric acid" + }, + { + "id": "MESH:D033461", + "label": "Disease", + "name": "Hyperuricemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00437", + "https://en.wikipedia.org/wiki/Allopurinol#Mechanism_of_action" + ] + }, + { + "comment": "Vancomycin is not active against Gram-negative bacteria (https://en.wikipedia.org/wiki/Vancomycin#Mechanism_of_action).", + "directed": true, + "graph": { + "_id": "DB00512_MESH_D004697_1", + "disease": "Bacterial endocarditis", + "disease_mesh": "MESH:D004697", + "drug": "vancomycin", + "drug_mesh": "MESH:D014640", + "drugbank": "DB:DB00512" + }, + "links": [ + { + "key": "disrupts", + "source": "MESH:D014640", + "target": "CHEBI:16576" + }, + { + "key": "negatively regulates", + "source": "MESH:D014640", + "target": "GO:0018104" + }, + { + "key": "in taxon", + "source": "GO:0018104", + "target": "taxonomy:1280" + }, + { + "key": "negatively regulates", + "source": "MESH:D014640", + "target": "GO:0032774" + }, + { + "key": "in taxon", + "source": "GO:0032774", + "target": "taxonomy:1280" + }, + { + "key": "disrupts", + "source": "MESH:D014640", + "target": "MESH:D010539" + }, + { + "key": "in taxon", + "source": "MESH:D010539", + "target": "taxonomy:1280" + }, + { + "key": "located in", + "source": "CHEBI:16576", + "target": "GO:0009275" + }, + { + "key": "in taxon", + "source": "GO:0009275", + "target": "taxonomy:1280" + }, + { + "key": "causes", + "source": "taxonomy:1280", + "target": "MESH:D004697" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014640", + "label": "Drug", + "name": "vancomycin" + }, + { + "id": "CHEBI:16576", + "label": "ChemicalSubstance", + "name": "D-alanyl-D-alanine" + }, + { + "id": "GO:0009275", + "label": "CellularComponent", + "name": "Gram-positive-bacterium-type cell wall" + }, + { + "id": "GO:0018104", + "label": "BiologicalProcess", + "name": "peptidoglycan-protein cross-linking" + }, + { + "id": "GO:0032774", + "label": "BiologicalProcess", + "name": "RNA biosynthetic process" + }, + { + "id": "MESH:D010539", + "label": "BiologicalProcess", + "name": "Permeability" + }, + { + "id": "taxonomy:1280", + "label": "OrganismTaxon", + "name": "Staphylococcus aureus" + }, + { + "id": "MESH:D004697", + "label": "Disease", + "name": "Bacterial endocarditis" + } + ], + "reference": [ + "https://pubchem.ncbi.nlm.nih.gov/compound/14969#section=Mechanism-of-Action", + "https://go.drugbank.com/drugs/DB00512", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL262777/" + ] + }, + { + "comment": "Vancomycin is not active against Gram-negative bacteria (https://en.wikipedia.org/wiki/Vancomycin#Mechanism_of_action).", + "directed": true, + "graph": { + "_id": "DB00512_MESH_D011023_1", + "disease": "Staphylococcal pneumonia", + "disease_mesh": "MESH:D011023", + "drug": "vancomycin", + "drug_mesh": "MESH:D014640", + "drugbank": "DB:DB00512" + }, + "links": [ + { + "key": "disrupts", + "source": "MESH:D014640", + "target": "CHEBI:16576" + }, + { + "key": "negatively regulates", + "source": "MESH:D014640", + "target": "GO:0018104" + }, + { + "key": "in taxon", + "source": "GO:0018104", + "target": "taxonomy:1280" + }, + { + "key": "negatively regulates", + "source": "MESH:D014640", + "target": "GO:0032774" + }, + { + "key": "in taxon", + "source": "GO:0032774", + 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"MESH:D010539", + "label": "BiologicalProcess", + "name": "Permeability" + }, + { + "id": "taxonomy:1280", + "label": "OrganismTaxon", + "name": "Staphylococcus aureus" + }, + { + "id": "MESH:D011023", + "label": "Disease", + "name": "Staphylococcal pneumonia" + } + ], + "reference": [ + "https://pubchem.ncbi.nlm.nih.gov/compound/14969#section=Mechanism-of-Action", + "https://go.drugbank.com/drugs/DB00512", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL262777/" + ] + }, + { + "comment": "Vancomycin is not active against Gram-negative bacteria (https://en.wikipedia.org/wiki/Vancomycin#Mechanism_of_action).", + "directed": true, + "graph": { + "_id": "DB00512_MESH_D000071074_1", + "disease": "Sepsis of the newborn", + "disease_mesh": "MESH:D000071074", + "drug": "vancomycin", + "drug_mesh": "MESH:D014640", + "drugbank": "DB:DB00512" + }, + "links": [ + { + "key": "disrupts", + "source": "MESH:D014640", + "target": "CHEBI:16576" + }, + { + "key": "negatively regulates", + "source": "MESH:D014640", + "target": "GO:0018104" + }, + { + "key": "in taxon", + "source": "GO:0018104", + "target": "taxonomy:1311" + }, + { + "key": "negatively regulates", + "source": "MESH:D014640", + "target": "GO:0032774" + }, + { + "key": "in taxon", + "source": "GO:0032774", + "target": "taxonomy:1311" + }, + { + "key": "disrupts", + "source": "MESH:D014640", + "target": "MESH:D010539" + }, + { + "key": "in taxon", + "source": "MESH:D010539", + "target": "taxonomy:1311" + }, + { + "key": "located in", + "source": "CHEBI:16576", + "target": "GO:0009275" + }, + { + "key": "in taxon", + "source": "GO:0009275", + "target": "taxonomy:1311" + }, + { + "key": "causes", + "source": "taxonomy:1311", + "target": "MESH:D000071074" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014640", + "label": "Drug", + "name": "vancomycin" + }, + { + "id": "CHEBI:16576", + "label": "ChemicalSubstance", + "name": "D-alanyl-D-alanine" + }, + { + "id": "GO:0009275", + "label": "CellularComponent", + "name": "Gram-positive-bacterium-type cell wall" + }, + { + "id": "GO:0018104", + "label": "BiologicalProcess", + "name": "peptidoglycan-protein cross-linking" + }, + { + "id": "GO:0032774", + "label": "BiologicalProcess", + "name": "RNA biosynthetic process" + }, + { + "id": "MESH:D010539", + "label": "BiologicalProcess", + "name": "Permeability" + }, + { + "id": "taxonomy:1311", + "label": "OrganismTaxon", + "name": "Streptococcus agalactiae" + }, + { + "id": "MESH:D000071074", + "label": "Disease", + "name": "Sepsis of the newborn" + } + ], + "reference": [ + "https://pubchem.ncbi.nlm.nih.gov/compound/14969#section=Mechanism-of-Action", + "https://go.drugbank.com/drugs/DB00512", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL262777/", + "https://medlineplus.gov/ency/article/007303.htm", + "https://medlineplus.gov/ency/article/001366.htm" + ] + }, + { + "comment": "Vancomycin is not active against Gram-negative bacteria (https://en.wikipedia.org/wiki/Vancomycin#Mechanism_of_action).", + "directed": true, + "graph": { + "_id": "DB00512_MESH_D013203_1", + "disease": "Infection due to Staphylococcus aureus", + "disease_mesh": "MESH:D013203", + "drug": "vancomycin", + "drug_mesh": "MESH:D014640", + "drugbank": "DB:DB00512" + }, + "links": [ + { + "key": "disrupts", + "source": "MESH:D014640", + "target": "CHEBI:16576" + }, + { + "key": "negatively regulates", + "source": "MESH:D014640", + "target": "GO:0018104" + }, + { + "key": "in taxon", + "source": "GO:0018104", + "target": "taxonomy:1280" + }, + { + "key": "negatively regulates", + "source": "MESH:D014640", + "target": "GO:0032774" + }, + { + "key": "in taxon", + "source": "GO:0032774", + "target": "taxonomy:1280" + }, + { + "key": "disrupts", + "source": "MESH:D014640", + "target": "MESH:D010539" + }, + { + "key": "in taxon", + "source": "MESH:D010539", + "target": "taxonomy:1280" + }, + { + "key": "located in", + "source": "CHEBI:16576", + 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"label": "Disease", + "name": "Pseudomembranous enterocolitis" + } + ], + "reference": [ + "https://pubchem.ncbi.nlm.nih.gov/compound/14969#section=Mechanism-of-Action", + "https://go.drugbank.com/drugs/DB00512", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL262777/" + ] + }, + { + "comment": "It's been debated whether the side effects of this drug is worth it when used for treating Parkinson's (https://en.wikipedia.org/wiki/Dopamine_agonist#History).", + "directed": true, + "graph": { + "_id": "DB01235_MESH_D010300_1", + "disease": "Parkinson's disease", + "disease_mesh": "MESH:D010300", + "drug": "levodopa", + "drug_mesh": "MESH:D007980", + "drugbank": "DB:DB01235" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D007980", + "target": "MESH:D004295" + }, + { + "key": "positively regulates", + "source": "MESH:D004295", + "target": "UniProt:P35462" + }, + { + "key": "positively regulates", + "source": "UniProt:P35462", + "target": "GO:0001963" + }, + { + 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(https://en.wikipedia.org/wiki/Dopamine_agonist#History).", + "directed": true, + "graph": { + "_id": "DB01235_MESH_D020734_2", + "disease": "Parkinsonism", + "disease_mesh": "MESH:D020734", + "drug": "levodopa", + "drug_mesh": "MESH:D007980", + "drugbank": "DB:DB01235" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D007980", + "target": "MESH:D004295" + }, + { + "key": "positively regulates", + "source": "MESH:D004295", + "target": "UniProt:P35462" + }, + { + "key": "positively regulates", + "source": "UniProt:P35462", + "target": "GO:0001963" + }, + { + "key": "negatively correlated with", + "source": "GO:0001963", + "target": "MESH:D020734" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007980", + "label": "Drug", + "name": "levodopa" + }, + { + "id": "MESH:D004295", + "label": "ChemicalSubstance", + "name": "Dihydroxyphenylalanine" + }, + { + "id": "UniProt:P35462", + "label": "Protein", + "name": "D(3) dopamine receptor" + }, + { + "id": 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associating with the 30s S7 subuint of the bacterial ribosome.", + "directed": true, + "graph": { + "_id": "DB13092_MESH_D008219_1", + "disease": "Lymphogranuloma venereum", + "disease_mesh": "MESH:D008219", + "drug": "meclocycline", + "drug_mesh": "MESH:C100122", + "drugbank": "DB:DB13092" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C100122", + "target": "InterPro:IPR000235" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR000235", + "target": "GO:0043039" + }, + { + "key": "participates in", + "source": "GO:0043039", + "target": "GO:0006412" + }, + { + "key": "in taxon", + "source": "GO:0006412", + "target": "taxonomy:813" + }, + { + "key": "causes", + "source": "taxonomy:813", + "target": "MESH:D008219" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C100122", + "label": "Drug", + "name": "meclocycline" + }, + { + "id": "InterPro:IPR000235", + "label": "GeneFamily", + "name": "30S ribosomal protein S5/S7" + }, + { + "id": 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"_id": "DB00916_MESH_D004716_1", + "disease": "Endometritis", + "disease_mesh": "MESH:D004716", + "drug": "metronidazole", + "drug_mesh": "MESH:D008795", + "drugbank": "DB:DB00916" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D008795", + "target": "MESH:D004247" + }, + { + "key": "positively regulates", + "source": "MESH:D004247", + "target": "GO:0090304" + }, + { + "key": "occurs in", + "source": "GO:0090304", + "target": "taxonomy:2" + }, + { + "key": "causes", + "source": "taxonomy:2", + "target": "MESH:D004716" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008795", + "label": "Drug", + "name": "metronidazole" + }, + { + "id": "MESH:D004247", + "label": "ChemicalSubstance", + "name": "DNA" + }, + { + "id": "GO:0090304", + "label": "BiologicalProcess", + "name": "nucleic acid metabolic process" + }, + { + "id": "taxonomy:2", + "label": "OrganismTaxon", + "name": "Bacteria" + }, + { + "id": "MESH:D004716", + "label": "Disease", + "name": 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"MESH:D004247", + "label": "ChemicalSubstance", + "name": "DNA" + }, + { + "id": "GO:0090304", + "label": "BiologicalProcess", + "name": "nucleic acid metabolic process" + }, + { + "id": "taxonomy:5741", + "label": "OrganismTaxon", + "name": "Giardia intestinalis" + }, + { + "id": "MESH:D005873", + "label": "Disease", + "name": "Giardiasis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00916#mechanism-of-action", + "https://en.wikipedia.org/wiki/Giardiasis" + ] + }, + { + "comment": "Metronidazole is a nitroimidazole which is only effective against anaerobic bacterial infections.", + "directed": true, + "graph": { + "_id": "DB00916_MESH_D059413_1", + "disease": "Intraabdominal Infections", + "disease_mesh": "MESH:D059413", + "drug": "metronidazole", + "drug_mesh": "MESH:D008795", + "drugbank": "DB:DB00916" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D008795", + "target": "MESH:D004247" + }, + { + "key": "positively regulates", + "source": 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"DB00916_MESH_D008100_1", + "disease": "Liver Abscess", + "disease_mesh": "MESH:D008100", + "drug": "metronidazole", + "drug_mesh": "MESH:D008795", + "drugbank": "DB:DB00916" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:D008795", + "target": "MESH:D004247" + }, + { + "key": "positively regulates", + "source": "MESH:D004247", + "target": "GO:0090304" + }, + { + "key": "occurs in", + "source": "GO:0090304", + "target": "taxonomy:2" + }, + { + "key": "causes", + "source": "taxonomy:2", + "target": "MESH:D008100" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008795", + "label": "Drug", + "name": "metronidazole" + }, + { + "id": "MESH:D004247", + "label": "ChemicalSubstance", + "name": "DNA" + }, + { + "id": "GO:0090304", + "label": "BiologicalProcess", + "name": "nucleic acid metabolic process" + }, + { + "id": "taxonomy:2", + "label": "OrganismTaxon", + "name": "Bacteria" + }, + { + "id": "MESH:D008100", + "label": "Disease", + "name": "Liver 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] + }, + { + "comment": "Addison Disease is a primary adrenal insufficiency which is characterized by the inadequate production of the steroid hormones such as cortisol and aldosterone.", + "directed": true, + "graph": { + "_id": "DB00635_MESH_D000224_1", + "disease": "Addison Disease", + "disease_mesh": "MESH:D000224", + "drug": "prednisone", + "drug_mesh": "MESH:D011241", + "drugbank": "DB:DB00635" + }, + "links": [ + { + "key": "has metabolite", + "source": "MESH:D011241", + "target": "MESH:D011239" + }, + { + "key": "treats", + "source": "MESH:D011239", + "target": "MESH:D000224" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011241", + "label": "Drug", + "name": "prednisone" + }, + { + "id": "MESH:D011239", + "label": "ChemicalSubstance", + "name": "Prednisolone" + }, + { + "id": "MESH:D000224", + "label": "Disease", + "name": "Addison Disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00635#mechanism-of-action", + 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"key": "positively correlated with", + "source": "GO:0006954", + "target": "HP:0000969" + }, + { + "key": "manifestation of", + "source": "HP:0000969", + "target": "MESH:D009404" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003907", + "label": "Drug", + "name": "dexamethasone" + }, + { + "id": "UniProt:P04150", + "label": "Protein", + "name": "Glucocorticoid receptor" + }, + { + "id": "InterPro:IPR001464", + "label": "GeneFamily", + "name": "Annexin" + }, + { + "id": "InterPro:IPR001211", + "label": "GeneFamily", + "name": "Phospholipase A2" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "HP:0000969", + "label": "PhenotypicFeature", + "name": "Edema" + }, + { + "id": "MESH:D009404", + "label": "Disease", + "name": "Nephrotic Syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01234", + "https://en.wikipedia.org/wiki/Dexamethasone#Anti-inflammatory", + "https://meshb.nlm.nih.gov/record/ui?ui=D009404" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01234_MESH_C562390_1", + "disease": "Humoral Hypercalcemia Of Malignancy", + "disease_mesh": "MESH:C562390", + "drug": "dexamethasone", + "drug_mesh": "MESH:D003907", + "drugbank": "DB:DB01234" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D003907", + "target": "UniProt:P04150" + }, + { + "key": "increases abundance of", + "source": "UniProt:P04150", + "target": "InterPro:IPR001464" + }, + { + "key": "negatively regulates", + "source": "InterPro:IPR001464", + "target": "InterPro:IPR001211" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR001211", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "GO:0045453" + }, + { + "key": "positively correlated with", + "source": "GO:0045453", + "target": "MESH:C562390" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003907", + "label": "Drug", + "name": "dexamethasone" + }, + { + "id": "UniProt:P04150", + "label": "Protein", + "name": "Glucocorticoid receptor" + }, + { + "id": "InterPro:IPR001464", + "label": "GeneFamily", + "name": "Annexin" + }, + { + "id": "InterPro:IPR001211", + "label": "GeneFamily", + "name": "Phospholipase A2" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "GO:0045453", + "label": "BiologicalProcess", + "name": "bone resorption" + }, + { + "id": "MESH:C562390", + "label": "Disease", + "name": "Humoral Hypercalcemia Of Malignancy" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01234", + "https://en.wikipedia.org/wiki/Parathyroid_hormone-related_protein#Humoral_hypercalcemia_of_malignancy", + "https://pubmed.ncbi.nlm.nih.gov/33584321/", + "https://en.wikipedia.org/wiki/Dexamethasone#Anti-inflammatory" + ] + }, + { + "comment": "Glucocorticoids suppress adrenal androgen synthesis through a negative feedback on the pituitary gland (https://amj.amegroups.com/article/view/4506/5248).", + "directed": true, + "graph": { + "_id": "DB01234_MESH_D000312_1", + "disease": "Adrenogenital disorder", + "disease_mesh": "MESH:D000312", + "drug": "dexamethasone", + "drug_mesh": "MESH:D003907", + "drugbank": "DB:DB01234" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D003907", + "target": "UniProt:P04150" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P04150", + "target": "GO:0006702" + }, + { + "key": "positively correlated with", + "source": "GO:0006702", + "target": "MESH:D000312" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003907", + "label": "Drug", + "name": "dexamethasone" + }, + { + "id": "UniProt:P04150", + "label": "Protein", + "name": "Glucocorticoid receptor" + }, + { + "id": "GO:0006702", + "label": "BiologicalProcess", + "name": "androgen biosynthetic process" + }, + { + "alt_name": "Adrenal Hyperplasia, Congenital", + "id": "MESH:D000312", + "label": "Disease", + "name": "Adrenogenital disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01234", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2855951/#sec3title", + "https://nyulangone.org/conditions/congenital-adrenal-hyperplasia/treatments/medication-for-congenital-adrenal-hyperplasia" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01234_MESH_D000224_1", + "disease": "Primary adrenocortical insufficiency", + "disease_mesh": "MESH:D000224", + "drug": "dexamethasone", + "drug_mesh": "MESH:D003907", + "drugbank": "DB:DB01234" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D003907", + "target": "UniProt:P04150" + }, + { + "key": "positively correlated with", + "source": "UniProt:P04150", + "target": "GO:0034651" + }, + { + "key": "positively correlated with", + "source": "UniProt:P04150", + "target": "GO:0032342" + }, + { + "key": "negatively correlated with", + "source": "GO:0034651", + "target": "MESH:D000224" + }, + { + "key": "negatively correlated with", + "source": "GO:0032342", + "target": "MESH:D000224" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003907", + "label": "Drug", + "name": "dexamethasone" + }, + { + "id": "UniProt:P04150", + "label": "Protein", + "name": "Glucocorticoid receptor" + }, + { + "id": "GO:0034651", + "label": "BiologicalProcess", + "name": "cortisol biosynthetic process" + }, + { + "id": "GO:0032342", + "label": "BiologicalProcess", + "name": "aldosterone biosynthetic process" + }, + { + "alt_name": "Addison Disease", + "id": "MESH:D000224", + "label": "Disease", + "name": "Primary adrenocortical insufficiency" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01234", + "https://en.wikipedia.org/wiki/Addison%27s_disease" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01234_MESH_D000309_1", + "disease": "Adrenal cortical hypofunction", + "disease_mesh": "MESH:D000309", + "drug": "dexamethasone", + "drug_mesh": "MESH:D003907", + "drugbank": "DB:DB01234" + }, + "links": [ + { + "key": "positively regulates", + "source": "MESH:D003907", + "target": "UniProt:P04150" + }, + { + "key": "positively correlated with", + "source": "UniProt:P04150", + "target": "GO:0120178" + }, + { + "key": "negatively correlated with", + "source": "GO:0120178", + "target": "MESH:D000309" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003907", + "label": "Drug", + "name": "dexamethasone" + }, + { + "id": "UniProt:P04150", + "label": "Protein", + "name": "Glucocorticoid receptor" + }, + { + "id": "GO:0120178", + "label": "BiologicalProcess", + "name": "steroid hormone biosynthetic process" + }, + { + "alt_name": "Adrenal Insufficiency", + "id": "MESH:D000309", + "label": "Disease", + "name": "Adrenal cortical hypofunction" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01234", + "https://meshb.nlm.nih.gov/record/ui?ui=D000309", + "https://en.wikipedia.org/wiki/Adrenal_insufficiency#Treatment" + ] + } +] \ No newline at end of file diff --git a/utils/normalizer/normalize.py b/utils/normalizer/normalize.py new file mode 100644 index 000000000..82189c01e --- /dev/null +++ b/utils/normalizer/normalize.py @@ -0,0 +1,159 @@ +import json +import os +import traceback +import requests +from time import sleep +from datetime import datetime + +MAX_RETRIES = 3 +BATCH_SIZE = 5000 + +def normalize_nodes(session, url, curies_batch, cache, failed_ids): + """ + Normalize a batch of node CURIEs using the Node Normalization API. + + Parameters: + - session: requests.Session object for making HTTP requests. + - url: URL of the Node Normalization API endpoint. + - curies_batch: List of CURIEs to be normalized. + - cache: Dictionary to store normalized CURIE mappings. + - failed_ids: Set to collect CURIEs that failed normalization. + """ + payload = { + "curies": curies_batch, + "conflate": False, + "description": False, + "drug_chemical_conflate": False + } + retries = 0 + while True: + try: + response = session.post(url, json=payload) + if response.status_code == 200: + response_text = response.text + try: + response_data = json.loads(response_text) + except json.JSONDecodeError as e: + raise e + + if not isinstance(response_data, dict): + raise Exception("Unexpected response data type") + + if not response_data: + failed_ids.update(curies_batch) + return + + for key, value in response_data.items(): + if isinstance(value, dict) and isinstance(value.get("id"), dict): + cache[key] = value["id"].get("identifier", key) + else: + failed_ids.add(key) + return + elif retries < MAX_RETRIES: + retries += 1 + sleep(2 ** retries) # Exponential backoff + else: + failed_ids.update(curies_batch) + break + except Exception as e: + traceback.print_exc() + if retries < MAX_RETRIES: + retries += 1 + sleep(2 ** retries) + else: + failed_ids.update(curies_batch) + break + +def update_graph_links(entry, id_map): + """ + Update node IDs in the graph and links of an entry using the provided ID map. + + Parameters: + - entry: A dictionary representing a single data entry with 'graph' and 'links'. + - id_map: Dictionary mapping original IDs to normalized IDs. + """ + graph = entry.get('graph', {}) + entry['graph'] = {k: id_map.get(v, v) if isinstance(v, str) else v for k, v in graph.items()} + entry['links'] = [{ + **link, + 'source': id_map.get(link.get('source'), link.get('source')), + 'target': id_map.get(link.get('target'), link.get('target')) + } for link in entry.get('links', [])] + +def normalize_node_ids(input_file, output_file): + """ + Normalize node IDs in the input JSON file and write the updated data to the output file. + + Parameters: + - input_file: Path to the input JSON file containing data entries. + - output_file: Path to the output JSON file to save normalized data. + """ + with open(input_file, 'r') as f: + entries = json.load(f) + + url = "https://nodenorm.transltr.io/1.5/get_normalized_nodes" + cache_file_path = "./output/norm_cache.json" + if os.path.exists(cache_file_path): + with open(cache_file_path, 'r') as f: + cache = json.load(f) + else: + cache = {} + failed_ids = set() + + all_curies = set() + for entry in entries: + for node in entry.get('nodes', []): + curie = node.get('id', '') + # Replace prefixes to match expected format + if curie.startswith('UniProt'): + curie = curie.replace('UniProt', 'UniProtKB', 1) + elif curie.startswith('reactome'): + curie = curie.replace('reactome', 'REACT', 1) + elif curie.startswith('taxonomy'): + curie = curie.replace('taxonomy', 'NCBITaxon', 1) + elif curie.startswith('DB'): + curie = curie.replace('DB', 'DrugBank', 1) + # Add CURIE if it contains exactly one colon + if ':' in curie and len(curie.split(':')) == 2: + all_curies.add(curie) + + unknown_curies = [curie for curie in all_curies if curie not in cache] + batches = [unknown_curies[i:i + BATCH_SIZE] for i in range(0, len(unknown_curies), BATCH_SIZE)] + + session = requests.Session() + for batch in batches: + normalize_nodes(session, url, batch, cache, failed_ids) + + # Update node IDs in entries using the normalized IDs from cache + for entry in entries: + update_graph_links(entry, cache) + + # Write the updated entries to the output file + with open(output_file, 'w') as f: + json.dump(entries, f, indent=2) + + # Save the cache to a file + with open(cache_file_path, 'w') as f: + json.dump(cache, f, indent=2) + + # Save the list of failed IDs to a file + failed_ids_path = "./output/failed_ids.json" + unique_failed_prefixes_path = "./output/unique_failed_prefixes.json" + with open(failed_ids_path, 'w') as f: + json.dump(list(failed_ids), f, indent=2) + # Extract unique prefixes from failed IDs + unique_prefixes = set(id.split(':')[0] for id in failed_ids) + with open(unique_failed_prefixes_path, 'w') as f: + json.dump(list(unique_prefixes), f, indent=2) + + print(f"Total unique normalized IDs: {len(cache)}") + print(f"Total unique failed IDs: {len(failed_ids)}") + +def main(): + normalize_node_ids( + "./input/indication_paths.json", + f"./output/indication_paths-{datetime.now().strftime('%Y-%m-%d')}.json" + ) + +if __name__ == "__main__": + main() diff --git a/utils/normalizer/output/failed_ids.json b/utils/normalizer/output/failed_ids.json new file mode 100644 index 000000000..0a7e1da76 --- /dev/null +++ b/utils/normalizer/output/failed_ids.json @@ -0,0 +1,273 @@ +[ + "InterPro:IPR006028", + "MESH:D055504", + "DrugBank:DBMET02573", + "InterPro:IPR003461", + "Pfam:PF02898", + "GO:0003809", + "MESH:D012032", + "InterPro:IPR000584", + "REACT:R-HSA-8932339", + "MESH:D015221", + "DrugBank:DB06720", + "MESH:D008706", + "InterPro:IPR001697", + "CHEBI:77034", + "InterPro:IPR000003", + "InterPro:IPR001696", + "InterPro:IPR015476", + "Pfam:PF00905", + "InterPro:IPR000837", + "MESH:D015513", + "GO:0001207", + "GO:0042135", + "InterPro:IPR030848", + "MESH:D014779", + "InterPro:IPR006390", + "MESH:D016147", + "UniProtKB:R4YB92", + "InterPro:IPR001128", + "Pfam:PF06589", + "UniProtKB:41972", + "MESH:D016923", + "InterPro:IPR006782", + "InterPro:IPR002453", + "InterPro:IPR002441", + "GO:0140603", + "MESH:D008079", + "MESH:D053536", + "MESH:D018389", + "InterPro:IPR000217", + "MESH:D010539", + "MESH:D054856", + "InterPro:IPR003938", + "MESH:D010062", + "MESH:D051098", + "MESH:D005169", + "InterPro:IPR011009", + "InterPro:IPR019602", + "MESH:D000066829", + "InterPro:IPR005990", + "InterPro:IPR000265", + "InterPro:IPR002394", + "UniProtKB:R4Y7H5", + "GO:0070265", + "UniProtKB:A0A8A6J2U1", + "UniProtKB:X2K2U8", + "UniProtKB:P3535", + "InterPro:IPR000235", + "GO:0090503", + "REACT:R-HSA-629587\ufeff", + "InterPro:IPR001464", + "GO:0071442", + "UniProtKB:P4984", + "InterPro:IPR000975", + "InterPro:IPR005884", + "InterPro:IPR001211", + "MESH:D018341", + "Pfam:PF00446", + "InterPro:IPR001873", + "InterPro:IPR002205", + "InterPro:IPR016248", + "InterPro:IPR001254", + "MESH:D006065", + "UniProtKB:S7IK33", + "GO:0046855", + "MESH:D018079", + "MESH:D018168", + "REACT:R-HSA-416476\ufeff", + "DrugBank:DBMET01698", + "InterPro:IPR035897", + "Pfam:PF00067", + "MESH:D015227", + "UniProtKB:D0RGZ2", + "CHEBI:35705", + "MESH:D059365", + "InterPro:IPR005446", + "MESH:D034061", + "MESH:D000803", + "GO:1901998", + "UniProtKB:X2JRY4", + "UniProtKB:R4YE07", + "InterPro:IPR002289", + "InterPro:IPR009135", + "InterPro:IPR000476", + "DrugBank:DB01271", + "UniProtKB:D0RGV5", + "InterPro:IPR002227", + "InterPro:IPR023174", + "MESH:D053553", + "Pfam:PF00466", + "GO:0006305", + "GO:0000737", + "MESH:C061957", + "UniProtKB:S3ABF8", + "MESH:D008077", + "NCBITaxon:1535326", + "MESH:D000069594", + "InterPro:IPR001148", + "MESH:D016212", + "MESH:D011950", + "CHEBI:64645", + "DrugBank:DB09037", + "MESH:D004167", + "InterPro:IPR028325", + "InterPro:IPR002231", + "MESH:D002470", + "MESH:D000071080", + "MESH:D010907", + "GO:0070997", + "MESH:D001610", + "InterPro:IPR001245", + "InterPro:IPR001104", + "GO:0055072", + "REACT:R-HSA-629594\ufeff", + "InterPro:IPR012338", + "MESH:D018994", + "MESH:D016084", + "InterPro:IPR013673", + "MESH:D016044", + "Pfam:PF00809", + "GO:0006069", + "GO:0005947", + "InterPro:IPR040125", + "InterPro:IPR001796", + "TIGR:02074", + "InterPro:PR001696", + "MESH:D002463", + "InterPro:IPR001634", + "InterPro:IPR001320", + "NCBITaxon:5519", + "InterPro:IPR037532", + "DrugBank:DB09077", + "InterPro:IPR035516", + "InterPro:IPR028809", + "InterPro:IPR047096", + "MESH:D019065", + "InterPro:IPR002233", + "REACT:R-HSA-416482\ufeff", + "GO:0036475", + "InterPro:IPR026899", + "UniProtKB:R4Y4Z5", + "UniProtKB:A0A443X2G9", + "MESH:D057705", + "MESH:D017475", + "InterPro:IPR005982", + "MESH:D018736", + "MESH:D036022", + "GO:0007048", + "InterPro:IPR000114", + "DrugBank:DB09108", + "Pfam:PF00237", + "UniProtKB:J7M8X7", + "MESH:D008075", + "InterPro:IPR003440", + "DrugBank:DB09310", + "InterPro:IPR013759", + "Pfam:PF06753", + "InterPro:IPR013680", + "DrugBank:DB00090", + "InterPro:cd15058", + "DrugBank:DB00100", + "UniProtKB:S7IMP9", + "InterPro:IPR030826", + "CHEBI:50503", + "MESH:D014590", + "InterPro:IPR005025", + "DrugBank:DBSALT001045", + "InterPro:IPR003545", + "GO:0036473", + "InterPro:IPR034162", + "InterPro:IPR005742", + "Pfam:PF00858", + "InterPro:IPR002403", + "MESH:D015514", + "InterPro:IPR005445", + "InterPro:IPR002955", + "DrugBank:DB01266", + "Pfam:PF11590", + "MESH:D054368", + "UniProtKB:S2ZP52", + "GO:0006306", + "MESH:D054327", + "InterPro:IPR043502", + "UniProtKB:V5AL63", + "MESH:D002199", + "Pfam:PF00449", + "CHEBI:35472", + "UniProtKB:A0A448KJJ7", + "DrugBank:DBMET03189", + "InterPro:IPR000499", + "InterPro:IPR001418", + "UniProtKB:A0A156J405", + "InterPro:IPR005311", + "InterPro:IPR000995", + "CHEBI:35143", + "DrugBank:DB13761", + "DrugBank:DB01256", + "InterPro:IPR030672", + "MESH:D018047", + "MESH:D012338", + "InterPro:IPR001170", + "Pfam:PF03520", + "UniProtKB:A0A6C1LUF2", + "MESH:D008560", + "InterPro:IPR028309", + "GO:0050828", + "GO:0044825", + "MESH:D020746", + "InterPro:IPR023088", + "UniProtKB:S7JCG1", + "CHEBI:60425", + "InterPro:IPR000477", + "InterPro:IPR015680", + "InterPro:IPR001321", + "GO:0071158", + "UniProtKB:D8GUW8", + "InterPro:SSF50353", + "MESH:D015220", + "DrugBank:DB11606", + "MESH:D017319", + "MESH:D061566", + "InterPro:IPR002587", + "DrugBank:DBSALT001065", + "InterPro:IPR022801", + "REACT:R-HSA-418555\ufeff", + "MESH:D019208", + "NCBITaxon:11103", + "InterPro:IPR017950", + "GO:0016575", + "InterPro:IPR043371", + "InterPro:IPR001054", + "InterPro:IPR031649", + "InterPro:IPR017790", + "InterPro:IPR023031", + "InterPro:IPR000929", + "UniProtKB:D8H6M3", + "InterPro:IPR017320", + "MESH:D010410", + "InterPro:IPR003084", + "InterPro:IPR003574", + "InterPro:IPR002117", + "MESH:D014655", + "GO:005507", + "MESH:D012336", + "InterPro:IPR001128\ufeff", + "InterPro:IPR003965", + "InterPro:IPR013760", + "Pfam:PF00186", + "MESH:D012738", + "CHEBI:21241", + "DrugBank:DB09281", + "InterPro:IPR000451", + "InterPro:IPR022423", + "DrugBank:DB11714", + "GO:0043631", + "Pfam:PF06512", + "Pfam:PF01007", + "InterPro:IPR010526", + "InterPro:IPR044109", + "MESH:D014661", + "InterPro:IPR001460", + "GO:0102084" +] \ No newline at end of file diff --git a/utils/normalizer/output/indication_paths-normalized-2024-10-15.json b/utils/normalizer/output/indication_paths-normalized-2024-10-15.json new file mode 100644 index 000000000..c9226c9d6 --- /dev/null +++ b/utils/normalizer/output/indication_paths-normalized-2024-10-15.json @@ -0,0 +1,430634 @@ +[ + { + "directed": true, + "graph": { + "_id": "DB00619_MESH_D015464_1", + "disease": "CML (ph+)", + "disease_mesh": "MONDO:0011996", + "drug": "imatinib", + "drug_mesh": "PUBCHEM.COMPOUND:123596", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:123596", + "target": "UniProt:P00519" + }, + { + "key": "causes", + "source": 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"UniProt:P11473", + "label": "Protein", + "name": "Vitamin D3 receptor" + }, + { + "id": "GO:0060558", + "label": "BiologicalProcess", + "name": "regulation of calcidiol 1-monooxygenase activity" + }, + { + "id": "GO:0055074", + "label": "BiologicalProcess", + "name": "calcium ion homeostasis" + }, + { + "id": "HP:0004363", + "label": "PhenotypicFeature", + "name": "Abnormal circulating calcium concentration" + }, + { + "id": "MESH:D012080", + "label": "Disease", + "name": "Renal osteodystrophy" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Calcitriol#Mechanism_of_action", + "https://pubmed.ncbi.nlm.nih.gov/23713873/", + "https://pubmed.ncbi.nlm.nih.gov/16970258/", + "https://go.drugbank.com/drugs/DB00136#description", + "https://en.wikipedia.org/wiki/Renal_osteodystrophy#Pathogenesis" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00165_MESH_D026681_1", + "disease": "Vitamin B6 deficiency", + "disease_mesh": "MONDO:0004574", + "drug": "pyridoxine", + "drug_mesh": "CHEBI:16709", + "drugbank": "DB:DB00165" + }, + "links": [ + { + "key": "interacts with", + "source": "CHEBI:16709", + "target": "UniProt:O00764" + }, + { + "key": "positively regulates", + "source": "UniProt:O00764", + "target": "GO:0008478" + }, + { + "key": "positively correlated with", + "source": "GO:0008478", + "target": "CHEBI:18405" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:18405", + "target": "MONDO:0004574" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011736", + "label": "Drug", + "name": "pyridoxine" + }, + { + "id": "UniProt:O00764", + "label": "Protein", + "name": "Pyridoxal kinase" + }, + { + "id": "GO:0008478", + "label": "MolecularActivity", + "name": "pyridoxal kinase activity" + }, + { + "id": "CHEBI:18405", + "label": "ChemicalSubstance", + "name": "pyridoxal 5'-phosphate" + }, + { + "id": "MESH:D026681", + "label": "Disease", + "name": "Vitamin B6 deficiency" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00165#mechanism-of-action", + "https://en.wikipedia.org/wiki/Pyridoxine" + ] + }, + { + "comments": "Setiptiline is considered a weak inhibitor of norepinephrine reuptake but I could not find evidence for this drug modulating the (nore)epinephrine uptake by Q7RTT9 or P23975. These putative mechanism has been observed in vitro/model organisms studies and is on Wikipedia (https://en.wikipedia.org/wiki/Setiptiline#Pharmacodynamics) but not on DrugBank or ChEMBL for example.", + "directed": true, + "graph": { + "_id": "DB09304_MESH_D003866_1", + "disease": "Depressive disorder", + "disease_mesh": "MONDO:0002050", + "drug": "setiptiline", + "drug_mesh": "CHEBI:135076", + "drugbank": "DB:DB09304" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:135076", + "target": "UniProt:P08913" + }, + { + "key": "decreases activity of", + "source": "CHEBI:135076", + "target": "UniProt:P18089" + }, + { + "key": "decreases activity of", + "source": "CHEBI:135076", + "target": "UniProt:P18825" + }, + { + "key": "correlated with", + "source": "UniProt:P08913", + "target": "GO:0061533" + }, + { + "key": "correlated with", + "source": "UniProt:P18089", + "target": "GO:0061533" + }, + { + "key": "correlated with", + "source": "UniProt:P18825", + "target": "GO:0061533" + }, + { + "key": "correlated with", + "source": "UniProt:P08913", + "target": "GO:0061529" + }, + { + "key": "correlated with", + "source": "UniProt:P18089", + "target": "GO:0061529" + }, + { + "key": "correlated with", + "source": "UniProt:P18825", + "target": "GO:0061529" + }, + { + "key": "correlated with", + "source": "GO:0061533", + "target": "MONDO:0002050" + }, + { + "key": "correlated with", + "source": "GO:0061529", + "target": "MONDO:0002050" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C050605", + "label": "Drug", + "name": "setiptiline" + }, + { + "id": "UniProt:P08913", + "label": "Protein", + "name": "Alpha-2A adrenergic receptor" + }, + { + "id": "UniProt:P18089", + "label": "Protein", + "name": "Alpha-2B adrenergic receptor" + }, + { + "id": "UniProt:P18825", + "label": "Protein", + "name": "Alpha-2C adrenergic receptor" + }, + { + "id": "GO:0061533", + "label": "BiologicalProcess", + "name": "norepinephrine secretion, neurotransmission" + }, + { + "id": "GO:0061529", + "label": "BiologicalProcess", + "name": "epinephrine secretion, neurotransmission" + }, + { + "id": "MESH:D003866", + "label": "Disease", + "name": "Depressive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09304#mechanism-of-action", + "https://drugs.ncats.io/substance/7L38105Z6E#general" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09304_MESH_D003866_2", + "disease": "Depressive disorder", + "disease_mesh": "MONDO:0002050", + "drug": "setiptiline", + "drug_mesh": "CHEBI:135076", + "drugbank": "DB:DB09304" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:135076", + "target": "InterPro:IPR002231" + }, + { + "key": "negatively regulates", + "source": "InterPro:IPR002231", + "target": "GO:0001820" + }, + { + "key": "precedes", + "source": "GO:0001820", + "target": "GO:0099153" + }, + { + "key": "negatively correlated with", + "source": "GO:0099153", + "target": "MONDO:0002050" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C050605", + "label": "Drug", + "name": "setiptiline" + }, + { + "id": "InterPro:IPR002231", + "label": "GeneFamily", + "name": "5-hydroxytryptamine receptor family" + }, + { + "id": "GO:0001820", + "label": "BiologicalProcess", + "name": "serotonin secretion" + }, + { + "id": "GO:0099153", + "label": "BiologicalProcess", + "name": "synaptic transmission, serotonergic" + }, + { + "id": "MESH:D003866", + "label": "Disease", + "name": "Depressive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09304#mechanism-of-action", + "https://drugs.ncats.io/substance/7L38105Z6E#general" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00411_MESH_D005902_1", + "disease": "Open-angle glaucoma", + "disease_mesh": "MONDO:0005338", + "drug": "carbachol", + "drug_mesh": "PUBCHEM.COMPOUND:5831", + "drugbank": "DB:DB00411" + }, + "links": [ + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:5831", + "target": "InterPro:IPR000995" + }, + { + "key": "participates in", + "source": "InterPro:IPR000995", + "target": "reactome:R-HSA-390648" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-390648", + "target": "GO:0006939" + }, + { + "key": "correlated with", + "source": "GO:0006939", + "target": "HP:0000616" + }, + { + "key": "negatively correlated with", + "source": "HP:0000616", + "target": "HP:0007906" + }, + { + "key": "positively correlated with", + "source": "HP:0007906", + "target": "MONDO:0005338" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002217", + "label": "Drug", + "name": "carbachol" + }, + { + "id": "InterPro:IPR000995", + "label": "GeneFamily", + "name": "Muscarinic acetylcholine receptor family" + }, + { + "id": "reactome:R-HSA-390648", + "label": "Pathway", + "name": "Muscarinic acetylcholine receptors" + }, + { + "id": "GO:0006939", + "label": "BiologicalProcess", + "name": "smooth muscle contraction" + }, + { + "id": "HP:0000616", + "label": "PhenotypicFeature", + "name": "Miosis" + }, + { + "id": "HP:0007906", + "label": "PhenotypicFeature", + "name": "Ocular Hypertension" + }, + { + "id": "MESH:D005902", + "label": "Disease", + "name": "Open-angle glaucoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00411#mechanism-of-action", + "https://pubchem.ncbi.nlm.nih.gov/compound/2551#section=Pharmacology-and-Biochemistry", + "https://en.wikipedia.org/wiki/Carbachol#Chemistry_and_pharmacology", + "https://www.kegg.jp/entry/D00524" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00411_MESH_D005902_2", + "disease": "Open-angle glaucoma", + "disease_mesh": "MONDO:0005338", + "drug": "carbachol", + "drug_mesh": "PUBCHEM.COMPOUND:5831", + "drugbank": "DB:DB00411" + }, + "links": [ + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:5831", + "target": "UniProt:Q15822" + }, + { + "key": "positively regulates", + "source": "UniProt:Q15822", + "target": "GO:0022848" + }, + { + "key": "located in", + "source": "GO:0022848", + "target": "GO:0031594" + }, + { + "key": "positively correlated with", + "source": "GO:0031594", + "target": "HP:0000616" + }, + { + "key": "negatively correlated with", + "source": "HP:0000616", + "target": "HP:0007906" + }, + { + "key": "positively correlated with", + "source": "HP:0007906", + "target": "MONDO:0005338" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002217", + "label": "Drug", + "name": "carbachol" + }, + { + "id": "UniProt:Q15822", + "label": "Protein", + "name": "Neuronal acetylcholine receptor subunit alpha-2" + }, + { + "id": "GO:0022848", + "label": "MolecularActivity", + "name": "acetylcholine-gated cation-selective channel activity" + }, + { + "id": "GO:0031594", + "label": "CellularComponent", + "name": "neuromuscular junction" + }, + { + "id": "HP:0000616", + "label": "PhenotypicFeature", + "name": "Miosis" + }, + { + "id": "HP:0007906", + "label": "PhenotypicFeature", + "name": "Ocular Hypertension" + }, + { + "id": "MESH:D005902", + "label": "Disease", + "name": "Open-angle glaucoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00411#mechanism-of-action", + "https://pubchem.ncbi.nlm.nih.gov/compound/2551#section=Pharmacology-and-Biochemistry", + "https://en.wikipedia.org/wiki/Carbachol#Chemistry_and_pharmacology", + "https://www.kegg.jp/entry/D00524" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00799_MESH_D000152_1", + "disease": "Acne vulgaris", + "disease_mesh": "MONDO:0011438", + "drug": "tazarotene", + "drug_mesh": "CHEBI:32184", + "drugbank": "DB:DB00799" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:32184", + "target": "UniProt:P10276" + }, + { + "key": "increases activity of", + "source": "CHEBI:32184", + "target": "UniProt:P28702" + }, + { + "key": "increases activity of", + "source": "CHEBI:32184", + "target": "UniProt:P13631" + }, + { + "key": "increases activity of", + "source": "CHEBI:32184", + "target": "UniProt:P10826" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10276", + "target": "UniProt:P00533" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P28702", + "target": "UniProt:P00533" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P13631", + "target": "UniProt:P00533" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10826", + "target": "UniProt:P00533" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10276", + "target": "MESH:D053536" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P28702", + "target": "MESH:D053536" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P13631", + "target": "MESH:D053536" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10826", + "target": "MESH:D053536" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10276", + "target": "MESH:D053553" + }, + { + "key": "negatively 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"UniProt:P13631", + "target": "reactome:R-HSA-181438" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10826", + "target": "reactome:R-HSA-181438" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-181438", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "UniProt:P00533", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "MESH:D053536", + "target": "HP:0025249" + }, + { + "key": "positively correlated with", + "source": "MESH:D053553", + "target": "HP:0025249" + }, + { + "key": "positively correlated with", + "source": "HP:0025249", + "target": "MONDO:0011438" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MONDO:0011438" + }, + { + "key": "positively correlated with", + "source": "MESH:D020782", + "target": "MONDO:0011438" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C086827", + "label": "Drug", + "name": "tazarotene" + }, + { + "id": "UniProt:P10276", + "label": "Protein", + "name": "Retinoic acid receptor alpha" + }, + { + "id": "UniProt:P10826", + "label": "Protein", + "name": "Retinoic acid receptor beta" + }, + { + "id": "UniProt:P28702", + "label": "Protein", + "name": "Retinoic acid receptor RXR-beta" + }, + { + "id": "UniProt:P13631", + "label": "Protein", + "name": "Retinoic acid receptor gamma" + }, + { + "id": "MESH:D053536", + "label": "Protein", + "name": "Keratin-16" + }, + { + "id": "MESH:D053553", + "label": "Protein", + "name": "Keratin-6" + }, + { + "id": "MESH:D020782", + "label": "Protein", + "name": "Matrix Metalloproteinases" + }, + { + "id": "UniProt:P00533", + "label": "Protein", + "name": "Epidermal growth factor receptor" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "HP:0025249", + "label": "PhenotypicFeature", + "name": "Comedo" + }, + { + "id": "reactome:R-HSA-181438", + "label": "Pathway", + "name": "Toll Like Receptor 2 (TLR2) Cascade" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4043801/#__sec2title", + "https://go.drugbank.com/drugs/DB00799#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/28585191/", + "https://europepmc.org/article/med/32100454" + ] + }, + { + "comment": "MESH:D057705 refers to the movement of leukocytes (the term NCIT:C91439 would have been better suited here but could not be validated)", + "directed": true, + "graph": { + "_id": "DB00799_MESH_D011565_1", + "disease": "Psoriasis", + "disease_mesh": "MONDO:0005083", + "drug": "tazarotene", + "drug_mesh": "CHEBI:32184", + "drugbank": "DB:DB00799" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:32184", + "target": "UniProt:P10276" + }, + { + "key": "increases activity of", + "source": "CHEBI:32184", + "target": "UniProt:P28702" + }, + { + "key": "increases activity of", + "source": "CHEBI:32184", + "target": "UniProt:P13631" + }, + { + "key": "increases activity of", + "source": "CHEBI:32184", + "target": "UniProt:P10826" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10276", + "target": "GO:0043616" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P28702", + "target": "GO:0043616" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P13631", + "target": "GO:0043616" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10826", + "target": "GO:0043616" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10276", + "target": "MESH:D057705" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P28702", + "target": "MESH:D057705" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P13631", + "target": "MESH:D057705" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10826", + "target": "MESH:D057705" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10276", + "target": "MONDO:0043233" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P28702", + "target": "MONDO:0043233" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P13631", + "target": "MONDO:0043233" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10826", + "target": "MONDO:0043233" + }, + { + "key": "positively correlated with", + "source": "MESH:D057705", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0043616", + "target": "MONDO:0005083" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MONDO:0005083" + }, + { + "key": "positively correlated with", + "source": "MONDO:0043233", + "target": "MONDO:0005083" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C086827", + "label": "Drug", + "name": "tazarotene" + }, + { + "id": "UniProt:P10276", + "label": "Protein", + "name": "Retinoic acid receptor alpha" + }, + { + "id": "UniProt:P10826", + "label": "Protein", + "name": "Retinoic acid receptor beta" + }, + { + "id": "UniProt:P28702", + "label": "Protein", + "name": "Retinoic acid receptor RXR-beta" + }, + { + "id": "UniProt:P13631", + "label": "Protein", + "name": "Retinoic acid receptor gamma" + }, + { + "id": "MESH:D003873", + "label": "PhenotypicFeature", + "name": "Dermatitis, Exfoliative" + }, + { + "id": "GO:0043616", + "label": "BiologicalProcess", + "name": "keratinocyte proliferation" + }, + { + "id": "MESH:D057705", + "label": "BiologicalProcess", + "name": "Transendothelial Migration Pathway" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D011565", + "label": "Disease", + "name": "Psoriasis" + } + ], + "reference": [ + "https://www.hindawi.com/journals/mi/2018/3067126/", + "https://go.drugbank.com/drugs/DB00799#mechanism-of-action" + ] + }, + { + "comment": "DrugBank has this drug modulating a human target/protein (https://go.drugbank.com/drugs/DB04930#mechanism-of-action) instead of the non-vertebrate proteome. Because humans (and other mammals) share similar ion channels this drug can have some toxic effects on the vertebrate host (e.g. https://pubmed.ncbi.nlm.nih.gov/11812616/)", + "directed": true, + "graph": { + "_id": "DB04930_MESH_D012532_1", + "disease": "Infestation by Sarcoptes scabiei var hominis", + "disease_mesh": "MONDO:0004525", + "drug": "permethrin", + "drug_mesh": "CHEBI:34911", + "drugbank": "DB:DB04930" + }, + "links": [ + { + "key": "disrupts", + "source": "CHEBI:34911", + "target": "UniProt:Q2VKV7" + }, + { + "key": "positively regulates", + "source": "UniProt:Q2VKV7", + "target": "GO:1902305" + }, + { + "key": "positively correlated with", + "source": "GO:1902305", + "target": "GO:0086009" + }, + { + "key": "occurs in", + "source": "GO:0086009", + "target": "MESH:D001369" + }, + { + "key": "in taxon", + "source": "MESH:D001369", + "target": "taxonomy:52283" + }, + { + "key": "causes", + "source": "taxonomy:52283", + "target": "MONDO:0004525" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D026023", + "label": "Drug", + "name": "permethrin" + }, + { + "id": "UniProt:Q2VKV7", + "label": "Protein", + "name": "Sodium channel protein" + }, + { + "id": "GO:1902305", + "label": "BiologicalProcess", + "name": "regulation of sodium ion transmembrane transport" + }, + { + "id": "GO:0086009", + "label": "BiologicalProcess", + "name": "membrane repolarization" + }, + { + "id": "MESH:D001369", + "label": "Cell", + "name": "Axons" + }, + { + "id": "taxonomy:52283", + "label": "OrganismTaxon", + "name": "Sarcoptes scabiei" + }, + { + "id": "MESH:D012532", + "label": "Disease", + "name": "Infestation by Sarcoptes scabiei var hominis" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1525/", + "https://dailymed.nlm.nih.gov/dailymed/lookup.cfm?setid=4de55a80-67d6-42c0-a6fc-57b89400c5b3", + "https://www.ebi.ac.uk/chembl/target_report_card/CHEMBL2362985/", + "https://beta.targetvalidation.org/drug/CHEMBL1525", + "https://en.wikipedia.org/wiki/Permethrin#Pharmacokinetics", + "https://en.wikipedia.org/wiki/Pyrethroid#Mode_of_action" + ] + }, + { + "comments": "this drug may bind to calmodulin therefore having an anti-neoplasmic effect (https://pubmed.ncbi.nlm.nih.gov/28062709/). For schizophrenia, the dopamine neurons are located in the mesolimbic dopaminergic system (BTO:0005591), which is a component pathway of the medial forebrain bundle (UBERON:0001910. See https://en.wikipedia.org/wiki/Medial_forebrain_bundle#Anatomy)", + "directed": true, + "graph": { + "_id": "DB00850_MESH_D012559_1", + "disease": "Schizophrenia", + "disease_mesh": "MONDO:0005090", + "drug": "perphenazine", + "drug_mesh": "CHEBI:8028", + "drugbank": "DB:DB00850" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:8028", + "target": "UniProt:P14416" + }, + { + "key": "decreases activity of", + "source": "CHEBI:8028", + "target": "UniProt:P21728" + }, + { + "key": "positively regulates", + "source": "UniProt:P14416", + "target": "GO:0014046" + }, + { + "key": "positively regulates", + "source": "UniProt:P21728", + "target": "GO:0014046" + }, + { + "key": "increases abundance of", + "source": "GO:0014046", + "target": "CHEBI:18243" + }, + { + "key": "located in", + "source": "CHEBI:18243", + "target": "UBERON:0001910" + }, + { + "key": "correlated with", + "source": "UBERON:0001910", + "target": "HP:0000746" + }, + { + "key": "manifestation of", + "source": "HP:0000746", + "target": "MONDO:0005090" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010546", + "label": "Drug", + "name": "perphenazine" + }, + { + "id": "UniProt:P14416", + "label": "Protein", + "name": "D(2) dopamine receptor" + }, + { + "id": "UniProt:P21728", + "label": "Protein", + "name": "D(1A) dopamine receptor" + }, + { + "id": "GO:0014046", + "label": "BiologicalProcess", + "name": "dopamine secretion" + }, + { + "id": "CHEBI:18243", + "label": "ChemicalSubstance", + "name": "dopamine" + }, + { + "id": "UBERON:0001910", + "label": "GrossAnatomicalStructure", + "name": "medial forebrain bundle" + }, + { + "id": "HP:0000746", + "label": "PhenotypicFeature", + "name": "Delusions" + }, + { + "id": "MESH:D012559", + "label": "Disease", + "name": "Schizophrenia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00850#mechanism-of-action", + "https://en.wikipedia.org/wiki/Perphenazine", + "https://en.wikipedia.org/wiki/Antipsychotic#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Mesolimbic_pathway#Relation_to_neurological_and_psychological_disorders" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06237_MESH_D007172_1", + "disease": "Erectile Dysfunction", + "disease_mesh": "MONDO:0005362", + "drug": "avanafil", + "drug_mesh": "CHEBI:66876", + "drugbank": "DB:DB06237" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:66876", + "target": "UniProt:O76074" + }, + { + "key": "positively regulates", + "source": "UniProt:O76074", + "target": "GO:0046069" + }, + { + "key": "decreases abundance of", + "source": "GO:0046069", + "target": "CHEBI:16356" + }, + { + "key": "positively regulates", + "source": "CHEBI:16356", + "target": "GO:0044557" + }, + { + "key": "positively correlated with", + "source": "GO:0044557", + "target": "GO:0008015" + }, + { + "key": "negatively correlated with", + "source": "GO:0008015", + "target": 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+ "name": "Asthma-Chronic Obstructive Pulmonary Disease Overlap Syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00651#mechanism-of-action", + "https://www.uniprot.org/uniprot/P27815#function", + "https://www.uniprot.org/uniprot/Q07343#function", + "https://www.uniprot.org/uniprot/Q08493#function", + "https://www.uniprot.org/uniprot/Q08499#function", + "https://en.wikipedia.org/wiki/Asthma", + "https://en.wikipedia.org/wiki/Chronic_obstructive_pulmonary_disease" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00651_MESH_D000080445_2", + "disease": "Asthma-Chronic Obstructive Pulmonary Disease Overlap Syndrome", + "disease_mesh": "UMLS:C4038730", + "drug": "Dyphylline", + "drug_mesh": "CHEBI:4728", + "drugbank": "DB:DB00651" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:4728", + "target": "InterPro:IPR001634" + }, + { + "key": "negatively regulates", + "source": "InterPro:IPR001634", + "target": "GO:0004016" + }, + { + "key": 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"name": "Cyclic AMP" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D029481", + "label": "Disease", + "name": "Bronchitis, Chronic" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00651#mechanism-of-action", + "https://www.uniprot.org/uniprot/P27815#function", + "https://www.uniprot.org/uniprot/Q07343#function", + "https://www.uniprot.org/uniprot/Q08493#function", + "https://www.uniprot.org/uniprot/Q08499#function", + "https://en.wikipedia.org/wiki/Bronchitis#Chronic_bronchitis" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00651_MESH_D029481_2", + "disease": "Bronchitis, Chronic", + "disease_mesh": "MONDO:0005607", + "drug": "Dyphylline", + "drug_mesh": "CHEBI:4728", + "drugbank": "DB:DB00651" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:4728", + "target": "InterPro:IPR001634" + }, + { + "key": "negatively regulates", + "source": "InterPro:IPR001634", + "target": 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"BiologicalProcess", + "name": "Insulin Secretion" + }, + { + "id": "GO:0070091", + "label": "BiologicalProcess", + "name": "glucagon secretion" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01261#mechanism-of-action", + "https://en.wikipedia.org/wiki/Sitagliptin", + "https://en.wikipedia.org/wiki/Dipeptidyl_peptidase-4_inhibitor", + "https://en.wikipedia.org/wiki/Incretin#Medical_uses", + "https://en.wikipedia.org/wiki/Type_2_diabetes#Pathophysiology" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB05229_MESH_D000081029_1", + "disease": "Pulmonary arterial hypertension", + "disease_mesh": "MONDO:0015924", + "drug": "beraprost", + "drug_mesh": "CHEBI:135633", + "drugbank": "DB:DB05229" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:135633", + "target": "UniProt:P43119" + }, + { + "key": "decreases abundance of", + "source": "UniProt:P43119", + "target": "CHEBI:22984" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:22984", + "target": "GO:0044557" + }, + { + "key": "positively correlated with", + "source": "GO:0044557", + "target": "GO:0042311" + }, + { + "key": "negatively correlated with", + "source": "GO:0042311", + "target": "MONDO:0015924" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C048081", + "label": "Drug", + "name": "beraprost" + }, + { + "id": "UniProt:P43119", + "label": "Protein", + "name": "Prostacyclin receptor" + }, + { + "id": "MESH:D002118", + "label": "ChemicalSubstance", + "name": "Calcium" + }, + { + "id": "GO:0044557", + "label": "BiologicalProcess", + "name": "relaxation of smooth muscle" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D000081029", + "label": "Disease", + "name": "Pulmonary arterial hypertension" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB05229#mechanism-of-action", + "https://en.wikipedia.org/wiki/Beraprost" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB08871_MESH_D008080_1", + "disease": "Liposarcoma", + "disease_mesh": "MONDO:0005060", + "drug": "eribulin", + "drug_mesh": "CHEBI:63587", + "drugbank": "DB:DB08871" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:63587", + "target": "PR:000028799" + }, + { + "key": "positively regulates", + "source": "PR:000028799", + "target": "GO:0000278" + }, + { + "key": "positively regulates", + "source": "PR:000028799", + "target": "GO:0051225" + }, + { + "key": "negatively correlated with", + "source": "GO:0000278", + "target": "GO:0006915" + }, + { + "key": "negatively correlated with", + "source": "GO:0051225", + "target": "GO:0006915" + }, + { + "key": "positively correlated with", + "source": "GO:0006915", + "target": "MONDO:0005060" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C490954", + "label": "Drug", + "name": "eribulin" + }, + { + "id": "PR:000028799", + "label": "MacromolecularComplex", + "name": "Tubulin" + }, + { + "id": "GO:0000278", + "label": "BiologicalProcess", + "name": "mitotic cell cycle" + }, + { + "id": "GO:0051225", + "label": "BiologicalProcess", + "name": "spindle assembly" + }, + { + "id": "GO:0006915", + "label": "BiologicalProcess", + "name": "apoptotic process" + }, + { + "id": "MESH:D008080", + "label": "Disease", + "name": "Liposarcoma" + } + ], + "reference": [ + "https://alpha.targetvalidation.org/drug/CHEMBL1683590", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1683590/", + "https://en.wikipedia.org/wiki/Eribulin#Structure_and_mechanism", + "https://en.wikipedia.org/wiki/Microtubule#Tubulin-binding_drugs_and_chemical_effects", + "https://go.drugbank.com/drugs/DB08871#mechanism-of-action" + ] + }, + { + "comment": "The reviewed (SwissProt) entry is Q05940 (supersedes entry available on DrugBank i.e.Q99870. The Ensembl gene ID is ENSG00000165646)", + "directed": true, + "graph": { + "_id": "DB11915_MESH_D000071057_1", + "disease": "Tardive dyskinesia", + "disease_mesh": "MONDO:0010096", + "drug": "valbenazine", + "drug_mesh": "PUBCHEM.COMPOUND:24795069", + "drugbank": "DB:DB11915" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:24795069", + "target": "UniProt:Q05940" + }, + { + "key": "positively regulates", + "source": "UniProt:Q05940", + "target": "GO:0015842" + }, + { + "key": "positively correlated with", + "source": "GO:0015842", + "target": "reactome:R-HSA-212676" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-212676", + "target": "MONDO:0010096" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C000603978", + "label": "Drug", + "name": "valbenazine" + }, + { + "id": "UniProt:Q05940", + "label": "Protein", + "name": "Synaptic vesicular amine transporter" + }, + { + "id": "GO:0015842", + "label": "BiologicalProcess", + "name": "aminergic neurotransmitter loading into synaptic vesicle" + }, + { + "id": "reactome:R-HSA-212676", + "label": "Pathway", + "name": "Dopamine Neurotransmitter Release Cycle" + }, + { + "id": "MESH:D000071057", + "label": "Disease", + "name": "Tardive dyskinesia" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL2364639/", + "https://go.drugbank.com/drugs/DB11915#mechanism-of-action", + "https://en.wikipedia.org/wiki/Valbenazine#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB12323_MESH_D015464_1", + "disease": "Chronic myeloid leukemia", + "disease_mesh": "MONDO:0011996", + "drug": "Radotinib", + "drug_mesh": "PUBCHEM.COMPOUND:16063245", + "drugbank": "DB:DB12323" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:16063245", + "target": "UniProt:P00519" + }, + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:16063245", + "target": 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"target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0035791", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0048008", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0004713", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0035791", + "target": "GO:0001525" + }, + { + "key": "positively correlated with", + "source": "GO:0048008", + "target": "GO:0001525" + }, + { + "key": "positively correlated with", + "source": "GO:0004713", + "target": "GO:0001525" + }, + { + "key": "positively correlated with", + "source": "GO:0001525", + "target": "MONDO:0011996" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MONDO:0011996" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C000606751", + "label": "Drug", + "name": "Radotinib" + }, + { + "id": "UniProt:P00519", + "label": "Protein", + "name": "Tyrosine-protein kinase ABL1" + }, + { + "id": "MESH:D016044", + "label": "Protein", + "name": "Fusion Proteins, bcr-abl" + }, + { + "id": "MESH:D017479", + "label": "GeneFamily", + "name": "Receptors, Platelet-Derived Growth Factor" + }, + { + "id": "GO:0004713", + "label": "MolecularActivity", + "name": "protein tyrosine kinase activity" + }, + { + "id": "GO:0035791", + "label": "BiologicalProcess", + "name": "platelet-derived growth factor receptor-beta signaling pathway" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "GO:0048008", + "label": "BiologicalProcess", + "name": "platelet-derived growth factor receptor signaling pathway" + }, + { + "id": "GO:0001525", + "label": "BiologicalProcess", + "name": "angiogenesis" + }, + { + "id": "MESH:D015464", + "label": "Disease", + "name": "Chronic myeloid leukemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB12323#mechanism-of-action", + "https://en.wikipedia.org/wiki/Radotinib", + "https://drugcentral.org/drugcard/5188" + ] + }, + { + "comment": "note that this drug is only associated with calcium channel blockers in ChEMBL (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1008/), not with potassium channel blockers (or other targets) as DrugBank has it. This drug is no longer sold in the United States. It's been implicated in causing ventricular arrhythmia.", + "directed": true, + "graph": { + "_id": "DB01244_MESH_D000787_1", + "disease": "Angina pectoris", + "disease_mesh": "HP:0001681", + "drug": "bepridil", + "drug_mesh": "CHEBI:3061", + "drugbank": "DB:DB01244" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:3061", + "target": "UniProt:P51787" + }, + { + "key": "negatively regulates", + "source": "CHEBI:3061", + "target": "UniProt:Q12809" + }, + { + "key": "participates in", + "source": "UniProt:P51787", + "target": "reactome:R-HSA-1296072" + }, + { + "key": "participates in", + "source": "UniProt:P51787", + "target": "reactome:R-HSA-5576890" + }, + { + "key": "participates in", + "source": "UniProt:Q12809", + "target": "reactome:R-HSA-1296072" + }, + { + "key": "participates in", + "source": "UniProt:Q12809", + "target": "reactome:R-HSA-5576890" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-1296072", + "target": "GO:0086013" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-5576890", + "target": "GO:0086013" + }, + { + "key": "negatively correlated with", + "source": "GO:0086013", + "target": "HP:0001657" + }, + { + "key": "positively correlated with", + "source": "HP:0001657", + "target": "HP:0004308" + }, + { + "key": "positively correlated with", + "source": "HP:0004308", + "target": "MONDO:0024644" + }, + { + "key": "positively correlated with", + "source": "MONDO:0024644", + "target": "HP:0001681" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015764", + "label": "Drug", + "name": "bepridil" + }, + { + "id": "UniProt:P51787", + "label": "Protein", + "name": "Potassium voltage-gated channel subfamily KQT member 1" + }, + { + "id": "UniProt:Q12809", + "label": "Protein", + "name": "Potassium voltage-gated channel subfamily H member 2" + }, + { + "id": "reactome:R-HSA-5576890", + "label": "Pathway", + "name": "Phase 3 - rapid repolarisation" + }, + { + "id": "reactome:R-HSA-1296072", + "label": "Pathway", + "name": "Voltage gated Potassium channels" + }, + { + "id": "GO:0086013", + "label": "BiologicalProcess", + "name": "membrane repolarization during cardiac muscle cell action potential" + }, + { + "id": "HP:0001657", + "label": "PhenotypicFeature", + "name": "Prolonged QT interval" + }, + { + "id": "HP:0004308", + "label": "PhenotypicFeature", + "name": "Ventricular arrhythmia" + }, + { + "id": "MESH:D017202", + "label": "PhenotypicFeature", + "name": "Myocardial Ischemia" + }, + { + "id": "MESH:D000787", + "label": "Disease", + "name": "Angina pectoris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01244#mechanism-of-action", + "https://www.cvpharmacology.com/antiarrhy/potassium-blockers", + "https://pubmed.ncbi.nlm.nih.gov/1280569/" + ] + }, + { + "comments": "note that this drug is only associated with calcium channel blockers in ChEMBL (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1008/), not with potassium channel blockers (or other targets) as DrugBank has it. This drug is no longer sold in the United States. It's been implicated in causing ventricular arrhythmia.", + "directed": true, + "graph": { + "_id": "DB01244_MESH_D000787_2", + "disease": "Angina pectoris", + "disease_mesh": "HP:0001681", + "drug": "bepridil", + "drug_mesh": "CHEBI:3061", + "drugbank": "DB:DB01244" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:3061", + "target": "UniProt:P05023" + }, + { + "key": "positively regulates", + "source": "UniProt:P05023", + "target": "GO:0036376" + }, + { + "key": "positively correlated with", + "source": "GO:0036376", + "target": "GO:0070509" + }, + { + "key": "positively correlated with", + "source": "GO:0070509", + "target": "MONDO:0024644" + }, + { + "key": "positively correlated with", + "source": "MONDO:0024644", + "target": "HP:0001681" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015764", + "label": "Drug", + "name": "Bepridil" + }, + { + "id": "UniProt:P05023", + "label": "Protein", + "name": "Sodium/potassium-transporting ATPase subunit alpha-1" + }, + { + "id": "GO:0036376", + "label": "BiologicalProcess", + "name": "sodium ion export across plasma membrane" + }, + { + "id": "GO:0070509", + "label": "BiologicalProcess", + "name": "calcium ion import" + }, + { + "id": "MESH:D017202", + "label": "PhenotypicFeature", + "name": "Myocardial Ischemia" + }, + { + "id": "MESH:D000787", + "label": "Disease", + "name": "Angina pectoris" + } + ], + "references": "https://go.drugbank.com/drugs/DB01244#BE0000732 https://www.ahajournals.org/doi/full/10.1161/01.STR.29.3.705" + }, + { + "comments": "note that this drug is only associated with calcium channel blockers in ChEMBL (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1008/), not with potassium channel blockers (or other targets) as DrugBank has it. This drug is no longer sold in the United States. 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It's believed to elicit an antibody-dependent cell-mediated cytotoxicity activity in vivo ()https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4000855/.", + "directed": true, + "graph": { + "_id": "DB00110_MESH_D018357_1", + "disease": "Respiratory syncytial virus infection", + "disease_mesh": "MONDO:0001577", + "drug": "palivizumab", + "drug_mesh": "UNII:DQ448MW7KS", + "drugbank": "DB:DB00110" + }, + "links": [ + { + "key": "negatively regulates", + "source": "UNII:DQ448MW7KS", + "target": "UniProt:P13843" + }, + { + "key": "positively regulates", + "source": "UniProt:P13843", + "target": "GO:0019064" + }, + { + "key": "positively regulates", + "source": "UniProt:P13843", + "target": "GO:0046718" + }, + { + "key": "in taxon", + "source": "GO:0046718", + "target": "taxonomy:12814" + }, + { + "key": "in taxon", + "source": "GO:0019064", + "target": "taxonomy:12814" + }, + { + "key": "causes", + "source": "taxonomy:12814", + "target": "MONDO:0001577" + } + ], + "multigraph": true, + "nodes": [ 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"https://go.drugbank.com/drugs/DB01603#mechanism-of-action", + "https://en.wikipedia.org/wiki/Sinusitis#Acute", + "https://en.wikipedia.org/wiki/Methicillin#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01603_MESH_D011023_1", + "disease": "Staphylococcal pneumonia", + "disease_mesh": "MONDO:0005970", + "drug": "meticillin", + "drug_mesh": "CHEBI:6827", + "drugbank": "DB:DB01603" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:6827", + "target": "UniProt:P0A3M6" + }, + { + "key": "negatively regulates", + "source": "CHEBI:6827", + "target": "UniProt:Q8DR59" + }, + { + "key": "positively regulates", + "source": "UniProt:P0A3M6", + "target": "GO:0071972" + }, + { + "key": "positively regulates", + "source": "UniProt:Q8DR59", + "target": "GO:0008955" + }, + { + "key": "positively correlated with", + "source": "GO:0071972", + "target": "GO:0018104" + }, + { + "key": "positively correlated with", + "source": "GO:0008955", + "target": "GO:0018104" + }, + { + "key": "positively correlated with", + "source": "GO:0018104", + "target": "GO:0031504" + }, + { + "key": "in taxon", + "source": "GO:0031504", + "target": "taxonomy:1313" + }, + { + "key": "causes", + "source": "taxonomy:1313", + "target": "MONDO:0005970" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008712", + "label": "Drug", + "name": "meticillin" + }, + { + "id": "UniProt:Q8DR59", + "label": "Protein", + "name": "Penicillin-binding protein 1A" + }, + { + "id": "UniProt:P0A3M6", + "label": "Protein", + "name": "Penicillin-binding protein 2B" + }, + { + "id": "GO:0071972", + "label": "MolecularActivity", + "name": "peptidoglycan L,D-transpeptidase activity" + }, + { + "id": "GO:0008955", + "label": "MolecularActivity", + "name": "peptidoglycan glycosyltransferase activity" + }, + { + "id": "GO:0018104", + "label": "BiologicalProcess", + "name": "peptidoglycan-protein cross-linking" + }, + { + "id": "GO:0031504", + "label": "BiologicalProcess", + "name": "peptidoglycan-based cell wall organization" + }, + { + "id": "taxonomy:1313", + "label": "OrganismTaxon", + "name": "Streptococcus pneumoniae" + }, + { + "id": "MESH:D011023", + "label": "Disease", + "name": "Staphylococcal pneumonia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01603#mechanism-of-action", + "https://en.wikipedia.org/wiki/Methicillin#Mechanism_of_action" + ] + }, + { + "comment": "This antibiotic inhbits beta-lactamases, enzymes that break antibiotics and therefore provide resistance to ampicillin and related beta-lacam antibiotics. Avibactam therefore is useful to treat infections caused by bacteria that are multi-resistant to \u03b2-lactam antibiotics.", + "directed": true, + "graph": { + "_id": "DB09060_MESH_D059413_1", + "disease": "Infectious disease of abdomen", + "disease_mesh": "UMLS:C1112209", + "drug": "avibactam", + "drug_mesh": "CHEBI:85984", + "drugbank": "DB:DB09060" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:85984", + "target": "UniProt:P0A9Z7" + }, + { + "key": "negatively regulates", + "source": "CHEBI:85984", + "target": "UniProt:P0AD63" + }, + { + "key": "negatively regulates", + "source": "CHEBI:85984", + "target": "UniProt:P62593" + }, + { + "key": "positively regulates", + "source": "UniProt:P0A9Z7", + "target": "GO:0008800" + }, + { + "key": "positively regulates", + "source": "UniProt:P0AD63", + "target": "GO:0008800" + }, + { + "key": "positively regulates", + "source": "UniProt:P62593", + "target": "GO:0008800" + }, + { + "key": "in taxon", + "source": "GO:0008800", + "target": "taxonomy:562" + }, + { + "key": "causes", + "source": "taxonomy:562", + "target": "UMLS:C1112209" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C543519", + "label": "Drug", + "name": "avibactam" + }, + { + "id": "UniProt:P0A9Z7", + "label": "Protein", + "name": "Beta-lactamase SHV-2" + }, + { + "id": "UniProt:P0AD63", + "label": "Protein", + "name": "Beta-lactamase SHV-1" + }, + { + "id": "UniProt:P62593", + "label": "Protein", + "name": "Beta-lactamase TEM" + }, + { + "id": "GO:0008800", + "label": "MolecularActivity", + "name": "beta-lactamase activity" + }, + { + "id": "taxonomy:562", + "label": "OrganismTaxon", + "name": "Escherichia coli" + }, + { + "id": "MESH:D059413", + "label": "Disease", + "name": "Infectious disease of abdomen" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09060#mechanism-of-action" + ] + }, + { + "comment": "This antibiotic inhbits beta-lactamases, enzymes that break antibiotics and therefore provide resistance to ampicillin and related beta-lacam antibiotics. Avibactam therefore is useful to treat infections caused by bacteria that are multi-resistant to \u03b2-lactam antibiotics.", + "directed": true, + "graph": { + "_id": "DB09060_MESH_D059413_2", + "disease": "Infectious disease of abdomen", + "disease_mesh": "UMLS:C1112209", + "drug": "avibactam", + "drug_mesh": "CHEBI:85984", + "drugbank": "DB:DB09060" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:85984", + "target": "UniProt:P0AD64" + }, + { + "key": "negatively regulates", + "source": "CHEBI:85984", + "target": "UniProt:Q9F663" + }, + { + "key": "positively regulates", + "source": "UniProt:P0AD64", + "target": "GO:0008800" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9F663", + "target": "GO:0008800" + }, + { + "key": "in taxon", + "source": "GO:0008800", + "target": "taxonomy:573" + }, + { + "key": "causes", + "source": "taxonomy:573", + "target": "UMLS:C1112209" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C543519", + "label": "Drug", + "name": "avibactam" + }, + { + "id": "UniProt:Q9F663", + "label": "Protein", + "name": "Carbapenem-hydrolyzing beta-lactamase KPC" + }, + { + "id": "UniProt:P0AD64", + "label": "Protein", + "name": "Beta-lactamase SHV-1" + }, + { + "id": "GO:0008800", + "label": "MolecularActivity", + "name": "beta-lactamase activity" + }, + { + "id": "taxonomy:573", + "label": "OrganismTaxon", + "name": "Klebsiella pneumoniae" + }, + { + "id": "MESH:D059413", + "label": "Disease", + "name": "Infectious disease of abdomen" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09060#mechanism-of-action" + ] + }, + { + "comment": "This antibiotic inhbits beta-lactamases, enzymes that break antibiotics and therefore provide resistance to ampicillin and related beta-lacam antibiotics. Avibactam therefore is useful to treat infections caused by bacteria that are multi-resistant to \u03b2-lactam antibiotics.", + "directed": true, + "graph": { + "_id": "DB09060_MESH_D059413_3", + "disease": "Infectious disease of abdomen", + "disease_mesh": "UMLS:C1112209", + "drug": "avibactam", + "drug_mesh": "CHEBI:85984", + "drugbank": "DB:DB09060" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:85984", + "target": "UniProt:P05364" + }, + { + "key": "positively regulates", + "source": "UniProt:P05364", + "target": "GO:0008800" + }, + { + "key": "in taxon", + "source": "GO:0008800", + "target": "taxonomy:550" + }, + { + "key": "causes", + "source": "taxonomy:550", + "target": "UMLS:C1112209" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C543519", + "label": "Drug", + "name": "avibactam" + }, + { + "id": "UniProt:P05364", + "label": "Protein", + "name": "Beta-lactamase" + }, + { + "id": "GO:0008800", + "label": "MolecularActivity", + "name": "beta-lactamase activity" + }, + { + "id": "taxonomy:550", + "label": "OrganismTaxon", + "name": "Enterobacter cloacae" + }, + { + "id": "MESH:D059413", + "label": "Disease", + "name": "Infectious disease of abdomen" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09060#mechanism-of-action" + ] + }, + { + "comment": "This antibiotic inhbits beta-lactamases, enzymes that break antibiotics and therefore provide resistance to ampicillin and related beta-lacam antibiotics. Avibactam therefore is useful to treat infections caused by bacteria that are multi-resistant to \u03b2-lactam antibiotics.", + "directed": true, + "graph": { + "_id": "DB09060_MESH_D059413_4", + "disease": "Infectious disease of abdomen", + "disease_mesh": "UMLS:C1112209", + "drug": "avibactam", + "drug_mesh": "CHEBI:85984", + "drugbank": "DB:DB09060" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:85984", + "target": "UniProt:P37321" + }, + { + "key": "positively regulates", + "source": "UniProt:P37321", + "target": "GO:0008800" + }, + { + "key": "in taxon", + "source": "GO:0008800", + "target": "taxonomy:287" + }, + { + "key": "causes", + "source": "taxonomy:287", + "target": "UMLS:C1112209" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C543519", + "label": "Drug", + "name": "avibactam" + }, + { + "id": "UniProt:P37321", + "label": "Protein", + "name": "Extended-spectrum beta-lactamase PER-1" + }, + { + "id": "GO:0008800", + "label": "MolecularActivity", + "name": "beta-lactamase activity" + }, + { + "id": "taxonomy:287", + "label": "OrganismTaxon", + "name": "Pseudomonas aeruginosa" + }, + { + "id": "MESH:D059413", + "label": "Disease", + "name": "Infectious disease of abdomen" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09060#mechanism-of-action" + ] + }, + { + "comment": "This antibiotic inhbits beta-lactamases, enzymes that break antibiotics and therefore provide resistance to ampicillin and related beta-lacam antibiotics. Avibactam therefore is useful to treat infections caused by bacteria that are multi-resistant to \u03b2-lactam antibiotics. The majority of cases of pyelonephritis are caused by E.coli (https://en.wikipedia.org/wiki/Pyelonephritis#Causes), hence using this species in the indication path here.", + "directed": true, + "graph": { + "_id": "DB09060_MESH_D011704_1", + "disease": "Pyelonephritis", + "disease_mesh": "MONDO:0006939", + "drug": "avibactam", + "drug_mesh": "CHEBI:85984", + "drugbank": "DB:DB09060" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:85984", + "target": "UniProt:P0A9Z7" + }, + { + "key": "negatively regulates", + "source": "CHEBI:85984", + "target": "UniProt:P0AD63" + }, + { + "key": "negatively regulates", + "source": "CHEBI:85984", + "target": "UniProt:P62593" + }, + { + "key": "positively regulates", + "source": "UniProt:P0A9Z7", + "target": "GO:0008800" + }, + { + "key": "positively regulates", + "source": "UniProt:P0AD63", + "target": "GO:0008800" + }, + { + "key": "positively regulates", + "source": "UniProt:P62593", + "target": "GO:0008800" + }, + { + "key": "in taxon", + "source": "GO:0008800", + "target": "taxonomy:562" + }, + { + "key": "causes", + "source": "taxonomy:562", + "target": "MONDO:0006939" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C543519", + "label": "Drug", + "name": "avibactam" + }, + { + "id": "UniProt:P0A9Z7", + "label": "Protein", + "name": "Beta-lactamase SHV-2" + }, + { + "id": "UniProt:P0AD63", + "label": "Protein", + "name": "Beta-lactamase SHV-1" + }, + { + "id": "UniProt:P62593", + "label": "Protein", + "name": "Beta-lactamase TEM" + }, + { + "id": "GO:0008800", + "label": "MolecularActivity", + "name": "beta-lactamase activity" + }, + { + "id": "taxonomy:562", + "label": "OrganismTaxon", + "name": "Escherichia coli" + }, + { + "id": "MESH:D011704", + "label": "Disease", + "name": "Pyelonephritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09060#mechanism-of-action" + ] + }, + { + "comment": "No mechanism of action available either in DrugBank (https://go.drugbank.com/drugs/DB12225#mechanism-of-action) or ChEMBL (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL3126842/) as per 02032021.", + "directed": true, + "graph": { + "_id": "DB12225_MESH_D019698_1", + "disease": "Chronic hepatitis C", + "disease_mesh": "MONDO:0005354", + "drug": "beclabuvir", + "drug_mesh": "MESH:C587012", + "drugbank": "DB:DB12225" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C587012", + "target": "UniProt:P27958" + }, + { + "key": "positively regulates", + "source": "UniProt:P27958", + "target": "GO:0039694" + }, + { + "key": "in taxon", + "source": "GO:0039694", + "target": "taxonomy:63746" + }, + { + "key": "causes", + "source": "taxonomy:63746", + "target": "MONDO:0005354" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C587012", + "label": "Drug", + "name": "beclabuvir" + }, + { + "id": "UniProt:P27958", + "label": "Protein", + "name": "Genome polyprotein" + }, + { + "id": "GO:0039694", + "label": "BiologicalProcess", + "name": "viral RNA genome replication" + }, + { + "id": "taxonomy:63746", + "label": "OrganismTaxon", + "name": "Hepatitis C virus (isolate H77)" + }, + { + "id": "MESH:D019698", + "label": "Disease", + "name": "Chronic hepatitis C" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Beclabuvir", + "https://pubchem.ncbi.nlm.nih.gov/compound/56934415#section=Pharmacology-and-Biochemistry", + "https://www.kegg.jp/entry/D10610", + "https://en.wikipedia.org/wiki/Hepatitis_C_virus#Molecular_biology" + ] + }, + { + "comment": "This drug converts uric acid into allantoin, therefore it clears uric acid from the blood (whose elevated levels - Hyperuricemia - can lead to gout).", + "directed": true, + "graph": { + "_id": "DB09208_MESH_D006073_1", + "disease": "Gout", + "disease_mesh": "MONDO:0005393", + "drug": "pegloticase", + "drug_mesh": "UNII:R581OT55EA", + "drugbank": "DB:DB09208" + }, + "links": [ + { + "key": "decreases abundance of", + "source": "UNII:R581OT55EA", + "target": "CHEBI:27226" + }, + { + "key": "positively correlated with", + "source": "CHEBI:27226", + "target": "HP:0002149" + }, + { + "key": "manifestation of", + "source": "HP:0002149", + "target": "MONDO:0005393" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C031545", + "label": "Drug", + "name": "pegloticase" + }, + { + "id": "CHEBI:27226", + "label": "ChemicalSubstance", + "name": "uric acid" + }, + { + "id": "HP:0002149", + "label": "PhenotypicFeature", + "name": "Hyperuricemia" + }, + { + "id": "MESH:D006073", + "label": "Disease", + "name": "Gout" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09208#mechanism-of-action", + "https://en.wikipedia.org/wiki/Pegloticase#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06684_MESH_D003865_1", + "disease": "Major depressive disorder", + "disease_mesh": "MONDO:0002009", + "drug": "vilazodone", + "drug_mesh": "PUBCHEM.COMPOUND:6918313", + "drugbank": "DB:DB06684" + }, + "links": [ + { + "key": "negatively regulates", + "source": "PUBCHEM.COMPOUND:6918313", + "target": "UniProt:P31645" + }, + { + "key": "positively regulates", + "source": "UniProt:P31645", + "target": "GO:0051610" + }, + { + "key": "positively correlated with", + "source": "GO:0051610", + "target": "MONDO:0002009" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069503", + "label": "Drug", + "name": "vilazodone" + }, + { + "id": "UniProt:P31645", + "label": "Protein", + "name": "Sodium-dependent serotonin transporter" + }, + { + "id": "GO:0051610", + "label": "BiologicalProcess", + "name": "serotonin uptake" + }, + { + "id": "MESH:D003865", + "label": "Disease", + "name": "Major depressive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06684#mechanism-of-action", + "https://go.drugbank.com/drugs/DB06684#BE0000749" + ] + }, + { + "comment": "this drug is a partial agonist at postsynaptic 5-HT1A receptors (https://en.wikipedia.org/wiki/5-HT1A_receptor#Partial_agonists) and are sometimes used in low doses as augmentation to SSRIs (https://en.wikipedia.org/wiki/5-HT1A_receptor#Neuromodulation).", + "directed": true, + "graph": { + "_id": "DB06684_MESH_D003865_2", + "disease": "Major depressive disorder", + "disease_mesh": "MONDO:0002009", + "drug": "vilazodone", + "drug_mesh": "PUBCHEM.COMPOUND:6918313", + "drugbank": "DB:DB06684" + }, + "links": [ + { + "key": "positively regulates", + "source": "PUBCHEM.COMPOUND:6918313", + "target": "UniProt:P08908" + }, + { + "key": "positively regulates", + "source": "UniProt:P08908", + "target": "GO:0060096" + }, + { + "key": "negatively correlated with", + "source": "GO:0060096", + "target": "MONDO:0002009" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069503", + "label": "Drug", + "name": "vilazodone" + }, + { + "id": "UniProt:P08908", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 1A" + }, + { + "id": "GO:0060096", + "label": "BiologicalProcess", + "name": "serotonin secretion, neurotransmission" + }, + { + "id": "MESH:D003865", + "label": "Disease", + "name": "Major depressive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06684#mechanism-of-action", + "https://go.drugbank.com/drugs/DB06684#BE0000291", + "https://en.wikipedia.org/wiki/5-HT1A_receptor", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4841022/", + "https://en.wikipedia.org/wiki/5-HT1A_receptor#cite_note-pmid2883013-21", + "https://pubmed.ncbi.nlm.nih.gov/12559651/" + ] + }, + { + "comment": "The drug name available in the original file (before curation) was Rutoside. This is one of the synonyms of Rutin, which is the canonical name in DrugBank). Its mechanism of action is not well reported. Some sources have it as an aid to enhance the action of vitamin C (https://www.drugs.com/mtm/rutin.html), whereas others describe rutin (aka vitamin P) acting as a \"sparing factor, which slows the oxidation of vitamin C\" into dehydroascorbic acid (https://en.wikipedia.org/wiki/Dehydroascorbic_acid).", + "directed": true, + "graph": { + "_id": "DB01698_MESH_D001206_1", + "disease": "Ascorbic acid deficiency", + "disease_mesh": "MONDO:0009412", + "drug": "Rutin", + "drug_mesh": "CHEBI:28527", + "drugbank": "DB:DB01698" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:28527", + "target": "CHEBI:21241" + }, + { + "key": "positively correlated with", + "source": "CHEBI:21241", + "target": "CHEBI:22652" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:22652", + "target": "MONDO:0009412" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D012431", + "label": "Drug", + "name": "Rutin" + }, + { + "id": "CHEBI:21241", + "label": "ChemicalSubstance", + "name": "vitamin C" + }, + { + "id": "MESH:D001205", + "label": "ChemicalSubstance", + "name": "Ascorbic Acid" + }, + { + "id": "MESH:D001206", + "label": "Disease", + "name": "Ascorbic acid deficiency" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Vitamin_C#Significance", + "https://en.wikipedia.org/wiki/Rutin" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB12865_MESH_D006962_1", + "disease": "Secondary hyperparathyroidism", + "disease_mesh": "MONDO:0006964", + "drug": "etelcalcetide", + "drug_mesh": "PUBCHEM.COMPOUND:71515466", + "drugbank": "DB:DB12865" + }, + "links": [ + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:71515466", + "target": "UniProt:P41180" + }, + { + "key": "positively regulates", + "source": "UniProt:P41180", + "target": "GO:0055074" + }, + { + "key": "negatively correlated with", + "source": "GO:0055074", + "target": "HP:0002901" + }, + { + "key": "positively correlated with", + "source": "HP:0002901", + "target": "HP:0003165" + }, + { + "key": "positively correlated with", + "source": "HP:0003165", + "target": "MONDO:0006964" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C583569", + "label": "Drug", + "name": "etelcalcetide" + }, + { + "id": "UniProt:P41180", + "label": "Protein", + "name": "Extracellular calcium-sensing receptor" + }, + { + "id": "GO:0055074", + "label": "BiologicalProcess", + "name": "calcium ion homeostasis" + }, + { + "id": "HP:0002901", + "label": "PhenotypicFeature", + "name": "An abnormally decreased calcium concentration in the blood" + }, + { + "id": "HP:0003165", + "label": "PhenotypicFeature", + "name": "Elevated circulating parathyroid hormone level" + }, + { + "id": "MESH:D006962", + "label": "Disease", + "name": "Secondary hyperparathyroidism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB12865#mechanism-of-action", + "https://en.wikipedia.org/wiki/Parathyroid_hormone#Disorders", + "https://en.wikipedia.org/wiki/Secondary_hyperparathyroidism#Cause", + "https://en.wikipedia.org/wiki/Etelcalcetide#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01166_MESH_D007383_1", + "disease": "Intermittent claudication", + "disease_mesh": "MONDO:0005295", + "drug": "cilostazol", + "drug_mesh": "MESH:C045645", + "drugbank": "DB:DB01166" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C045645", + "target": "UniProt:Q14432" + }, + { + "key": "positively regulates", + "source": "UniProt:Q14432", + "target": "GO:0004115" + }, + { + "key": "decreases abundance of", + "source": "GO:0004115", + "target": "CHEBI:17489" + }, + { + "key": "increases activity of", + "source": "CHEBI:17489", + "target": "MESH:D017868" + }, + { + "key": "positively correlated with", + "source": "MESH:D017868", + "target": "GO:0042311" + }, + { + "key": "negatively correlated with", + "source": "MESH:D017868", + "target": "GO:0070527" + }, + { + "key": "negatively correlated with", + "source": "GO:0042311", + "target": "MONDO:0005295" + }, + { + "key": "positively correlated with", + "source": "GO:0070527", + "target": "MONDO:0005295" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C045645", + "label": "Drug", + "name": "cilostazol" + }, + { + "id": "UniProt:Q14432", + "label": "Protein", + "name": "cGMP-inhibited 3',5'-cyclic phosphodiesterase A" + }, + { + "id": "GO:0004115", + "label": "MolecularActivity", + "name": "3',5'-cyclic-AMP phosphodiesterase activity" + }, + { + "id": "CHEBI:17489", + "label": "ChemicalSubstance", + "name": "3',5'-cyclic AMP" + }, + { + "id": "MESH:D017868", + "label": "GeneFamily", + "name": "Cyclic AMP-Dependent Protein Kinases" + }, + { + "id": "GO:0070527", + "label": "BiologicalProcess", + "name": "platelet aggregation" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D007383", + "label": "Disease", + "name": "Intermittent claudication" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01166#mechanism-of-action", + "https://en.wikipedia.org/wiki/Cilostazol#Mechanism", + "https://www.sciencedirect.com/science/article/pii/S1078588402917958", + "https://www.jvascsurg.org/article/0741-5214(86)90027-3/fulltext" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01144_MESH_D005902_1", + "disease": "Open-angle glaucoma", + "disease_mesh": "MONDO:0005338", + "drug": "dichlorphenamide", + "drug_mesh": "CHEBI:101085", + "drugbank": "DB:DB01144" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:101085", + "target": "UniProt:P00915" + }, + { + "key": "negatively regulates", + "source": "CHEBI:101085", + "target": "UniProt:P00918" + }, + { + "key": "negatively regulates", + "source": "CHEBI:101085", + "target": "UniProt:P22748" + }, + { + "key": "negatively regulates", + "source": "CHEBI:101085", + "target": "UniProt:P43166" + }, + { + "key": "negatively regulates", + 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"dichlorphenamide" + }, + { + "id": "UniProt:P00915", + "label": "Protein", + "name": "Carbonic anhydrase 1" + }, + { + "id": "UniProt:P00918", + "label": "Protein", + "name": "Carbonic anhydrase 2" + }, + { + "id": "UniProt:P22748", + "label": "Protein", + "name": "Carbonic anhydrase 4" + }, + { + "id": "UniProt:P43166", + "label": "Protein", + "name": "Carbonic anhydrase 7" + }, + { + "id": "UniProt:O43570", + "label": "Protein", + "name": "Carbonic anhydrase 12" + }, + { + "id": "GO:0015701", + "label": "BiologicalProcess", + "name": "bicarbonate transport" + }, + { + "id": "UBERON:0001796", + "label": "GrossAnatomicalStructure", + "name": "aqueous humor of eyeball" + }, + { + "id": "HP:0007906", + "label": "PhenotypicFeature", + "name": "Ocular Hypertension" + }, + { + "id": "MESH:D005902", + "label": "Disease", + "name": "Open-angle glaucoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01144#mechanism-of-action", + 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"MolecularActivity", + "name": "sodium:potassium:chloride symporter activity" + }, + { + "id": "GO:0035812", + "label": "BiologicalProcess", + "name": "renal sodium excretion" + }, + { + "id": "GO:0036359", + "label": "BiologicalProcess", + "name": "renal potassium excretion" + }, + { + "id": "GO:0003092", + "label": "BiologicalProcess", + "name": "renal water retention" + }, + { + "id": "MESH:D004487", + "label": "Disease", + "name": "Edema" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Etacrynic_acid#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Loop_diuretic#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Na-K-Cl_cotransporter#NKCC2", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL456/", + "https://go.drugbank.com/drugs/DB00903#BE0000502", + "https://en.wikipedia.org/wiki/Diuretic#High_ceiling/loop_diuretic" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00038_MESH_D013921_1", + "disease": "Thrombocytopenic disorder", + 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"MolecularActivity", + "name": "interleukin-11 receptor activity" + }, + { + "id": "GO:0035726", + "label": "BiologicalProcess", + "name": "common myeloid progenitor cell proliferation" + }, + { + "id": "GO:0030220", + "label": "BiologicalProcess", + "name": "platelet formation" + }, + { + "id": "MESH:D013921", + "label": "Disease", + "name": "Thrombocytopenic disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00038#mechanism-of-action", + "https://en.wikipedia.org/wiki/Oprelvekin" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00038_MESH_D013921_2", + "disease": "Thrombocytopenic disorder", + "disease_mesh": "MONDO:0002049", + "drug": "oprelvekin", + "drug_mesh": "PUBCHEM.COMPOUND:146069", + "drugbank": "DB:DB00038" + }, + "links": [ + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:146069", + "target": "UniProt:Q14626" + }, + { + "key": "positively regulates", + "source": "UniProt:Q14626", + "target": "GO:0004921" + }, + { + "key": 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"https://go.drugbank.com/drugs/DB00038#mechanism-of-action", + "https://en.wikipedia.org/wiki/Oprelvekin" + ] + }, + { + "comment": "Sclerosing solutions cause the vein to scar, forcing blood to reroute through healthier veins. The collapsed vein is reabsorbed into local tissue and eventually fades (https://www.mayoclinic.org/tests-procedures/sclerotherapy/about/pac-20384592).", + "directed": true, + "graph": { + "_id": "DB00464_MESH_D014648_1", + "disease": "Venous varices", + "disease_mesh": "MONDO:0008638", + "drug": "sodium tetradecyl sulfate", + "drug_mesh": "PUBCHEM.COMPOUND:23665772", + "drugbank": "DB:DB00464" + }, + "links": [ + { + "key": "part of", + "source": "PUBCHEM.COMPOUND:23665772", + "target": "MESH:D012597" + }, + { + "key": "negatively correlated with", + "source": "MESH:D012597", + "target": "HP:0012514" + }, + { + "key": "negatively correlated with", + "source": "MESH:D012597", + "target": "HP:0010741" + }, + { + "key": "manifestation of", + "source": "HP:0012514", + "target": "MONDO:0008638" + }, + { + "key": "manifestation of", + "source": "HP:0010741", + "target": "MONDO:0008638" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D012981", + "label": "Drug", + "name": "sodium tetradecyl sulfate" + }, + { + "id": "MESH:D012597", + "label": "ChemicalSubstance", + "name": "Sclerosing Solutions" + }, + { + "id": "HP:0012514", + "label": "PhenotypicFeature", + "name": "Lower limb pain" + }, + { + "id": "HP:0010741", + "label": "PhenotypicFeature", + "name": "Pedal edema" + }, + { + "id": "MESH:D014648", + "label": "Disease", + "name": "Venous varices" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Sodium_tetradecyl_sulfate" + ] + }, + { + "comment": "MESH:D014652 was initially denoted as Disorder of blood vessel in the original xls file but the name on the MESH website, Vascular Diseases, is the one used here.", + "directed": true, + "graph": { + "_id": "DB00797_MESH_D014652_1", + "disease": "Vascular Diseases", + "disease_mesh": "MONDO:0005385", + "drug": "tolazoline", + "drug_mesh": "CHEBI:28502", + "drugbank": "DB:DB00797" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:28502", + "target": "UniProt:P35348" + }, + 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"reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P18825", + "target": "reactome:R-HSA-418597" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-416476", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-416482", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-418594", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-418597", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "MONDO:0005385" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014043", + "label": "Drug", + "name": "tolazoline" + }, + { + "id": "UniProt:P35348", + "label": "Protein", + "name": "Alpha-1A adrenergic receptor" + }, + { + "id": "UniProt:P08913", + "label": "Protein", + "name": "Alpha-2A adrenergic receptor" + }, + { + "id": "UniProt:P18089", + "label": "Protein", + "name": "Alpha-2B adrenergic receptor" + }, + { + "id": "UniProt:P18825", + "label": "Protein", + "name": "Alpha-2C adrenergic receptor" + }, + { + "id": "reactome:R-HSA-416476", + "label": "Pathway", + "name": "G alpha (q) signalling events" + }, + { + "id": "reactome:R-HSA-416482", + "label": "Pathway", + "name": "G alpha (12/13) signalling events" + }, + { + "id": "reactome:R-HSA-418594", + "label": "Pathway", + "name": "G alpha (i) signalling events" + }, + { + "id": "reactome:R-HSA-418597", + "label": "Pathway", + "name": "G alpha (z) signalling events" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "MESH:D014652", + "label": "Disease", + "name": "Vascular Diseases" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00797#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL770/" + ] + }, + { + "comment": "MESH:D014652 was initially denoted as Disorder of blood vessel in the original xls file but the name on the MESH website, Vascular Diseases, is the one used here.", + "directed": true, + "graph": { + "_id": "DB00797_MESH_D014652_2", + "disease": "Vascular Diseases", + "disease_mesh": "MONDO:0005385", + "drug": "tolazoline", + "drug_mesh": "CHEBI:28502", + "drugbank": "DB:DB00797" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:28502", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "CHEBI:28502", + "target": "UniProt:P25021" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0042311" + }, + { + "key": "positively regulates", + "source": "UniProt:P25021", + "target": "GO:0042311" + }, + { + "key": "negatively correlated with", + "source": "GO:0042311", + "target": "MONDO:0005385" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014043", + "label": "Drug", + "name": "tolazoline" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "UniProt:P25021", + "label": "Protein", + "name": "Histamine H2 receptor" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D014652", + "label": "Disease", + "name": "Vascular Diseases" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00797#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL770/", + "https://www.ajol.info/index.php/njps/article/view/120209/109692" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00797_MESH_D002561_1", + "disease": "Cerebrovascular disease", + "disease_mesh": "MONDO:0011057", + "drug": "tolazoline", + "drug_mesh": "CHEBI:28502", + "drugbank": "DB:DB00797" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:28502", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "CHEBI:28502", + "target": "UniProt:P25021" + }, + { + "key": "positively 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in", + "source": "UniProt:P08913", + "target": "reactome:R-HSA-418597" + }, + { + "key": "participates in", + "source": "UniProt:P18089", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P18089", + "target": "reactome:R-HSA-418597" + }, + { + "key": "participates in", + "source": "UniProt:P18825", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P18825", + "target": "reactome:R-HSA-418597" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-416476", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-416482", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-418594", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-418597", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "MONDO:0011057" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014043", + "label": "Drug", + "name": "tolazoline" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "UniProt:P25021", + "label": "Protein", + "name": "Histamine H2 receptor" + }, + { + "id": "UniProt:P35348", + "label": "Protein", + "name": "Alpha-1A adrenergic receptor" + }, + { + "id": "UniProt:P08913", + "label": "Protein", + "name": "Alpha-2A adrenergic receptor" + }, + { + "id": "UniProt:P18089", + "label": "Protein", + "name": "Alpha-2B adrenergic receptor" + }, + { + "id": "UniProt:P18825", + "label": "Protein", + "name": "Alpha-2C adrenergic receptor" + }, + { + "id": "reactome:R-HSA-416476", + "label": "Pathway", + "name": "G alpha (q) signalling events" + }, + { + "id": "reactome:R-HSA-416482", + "label": "Pathway", + "name": "G alpha (12/13) signalling events" + }, + { + "id": "reactome:R-HSA-418594", + "label": "Pathway", + "name": "G alpha (i) 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+ "key": "positively regulates", + "source": "CHEBI:28502", + "target": "UniProt:P25021" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0042311" + }, + { + "key": "positively regulates", + "source": "UniProt:P25021", + "target": "GO:0042311" + }, + { + "key": "negatively correlated with", + "source": "GO:0042311", + "target": "MONDO:0022430" + }, + { + "key": "negatively regulates", + "source": "CHEBI:28502", + "target": "UniProt:P35348" + }, + { + "key": "negatively regulates", + "source": "CHEBI:28502", + "target": "UniProt:P08913" + }, + { + "key": "participates in", + "source": "UniProt:P35348", + "target": "reactome:R-HSA-416476" + }, + { + "key": "participates in", + "source": "UniProt:P35348", + "target": "reactome:R-HSA-416482" + }, + { + "key": "participates in", + "source": "UniProt:P08913", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P08913", + "target": "reactome:R-HSA-418597" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-416476", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-416482", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-418594", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-418597", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "MONDO:0022430" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014043", + "label": "Drug", + "name": "tolazoline" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "UniProt:P25021", + "label": "Protein", + "name": "Histamine H2 receptor" + }, + { + "id": "UniProt:P35348", + "label": "Protein", + "name": "Alpha-1A adrenergic receptor" + }, + { + "id": "UniProt:P08913", + "label": "Protein", + "name": "Alpha-2A adrenergic 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"graph": { + "_id": "DB01144_MESH_D015812_1", + "disease": "Angle-closure glaucoma", + "disease_mesh": "MONDO:0001744", + "drug": "dichlorphenamide", + "drug_mesh": "CHEBI:101085", + "drugbank": "DB:DB01144" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:101085", + "target": "UniProt:P00915" + }, + { + "key": "negatively regulates", + "source": "CHEBI:101085", + "target": "UniProt:P00918" + }, + { + "key": "negatively regulates", + "source": "CHEBI:101085", + "target": "UniProt:P22748" + }, + { + "key": "negatively regulates", + "source": "CHEBI:101085", + "target": "UniProt:P43166" + }, + { + "key": "negatively regulates", + "source": "CHEBI:101085", + "target": "UniProt:O43570" + }, + { + "key": "positively regulates", + "source": "UniProt:P00915", + "target": "GO:0015701" + }, + { + "key": "positively regulates", + "source": "UniProt:P00918", + "target": "GO:0015701" + }, + { + "key": "positively regulates", + "source": "UniProt:P22748", + "target": "GO:0015701" + }, + { + "key": "positively regulates", + "source": "UniProt:P43166", + "target": "GO:0015701" + }, + { + "key": "positively regulates", + "source": "UniProt:O43570", + "target": "GO:0015701" + }, + { + "key": "increases abundance of", + "source": "GO:0015701", + "target": "UBERON:0001796" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001796", + "target": "HP:0007906" + }, + { + "key": "positively correlated with", + "source": "HP:0007906", + "target": "MONDO:0001744" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_names": [ + "Diclofenamide" + ], + "id": "MESH:D004005", + "label": "Drug", + "name": "dichlorphenamide" + }, + { + "id": "UniProt:P00915", + "label": "Protein", + "name": "Carbonic anhydrase 1" + }, + { + "id": "UniProt:P00918", + "label": "Protein", + "name": "Carbonic anhydrase 2" + }, + { + "id": "UniProt:P22748", + "label": "Protein", + "name": "Carbonic anhydrase 4" + }, + { + "id": "UniProt:P43166", + "label": "Protein", + "name": "Carbonic anhydrase 7" + }, + { + "id": "UniProt:O43570", + "label": "Protein", + "name": "Carbonic anhydrase 12" + }, + { + "id": "GO:0015701", + "label": "BiologicalProcess", + "name": "bicarbonate transport" + }, + { + "id": "UBERON:0001796", + "label": "GrossAnatomicalStructure", + "name": "aqueous humor of eyeball" + }, + { + "id": "HP:0007906", + "label": "PhenotypicFeature", + "name": "Ocular Hypertension" + }, + { + "id": "MESH:D015812", + "label": "Disease", + "name": "Angle-closure glaucoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01144#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL17/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC506660/", + "https://en.wikipedia.org/wiki/Glaucoma#Medication\\", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC506660/", + "https://www.aaopt.org/docs/knowledge-base/outline26514.doc?sfvrsn=5f863d3_0", + "https://en.wikipedia.org/wiki/Aqueous_humour#Clinical_significance" + ] + }, + { + "comment": "This drug is fungistatic at concetrations up to 20 mcg/mL, and is fungicidal in vitro when used at higher concentrations. Also please note that MESH:D002181 was initially denoted as Candidal vulvovaginitis in the original xls file but the name on the MESH website, which is Candidiasis, Vulvovaginal, is the one used here for our annotation.", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D002181_1", + "disease": "Candidiasis, Vulvovaginal", + "disease_mesh": "MONDO:0006014", + "drug": "clotrimazole", + "drug_mesh": "CHEBI:3764", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:3764", + "target": "UniProt:P10613" + }, + { + "key": "positively regulates", + "source": "UniProt:P10613", + "target": "GO:0006696" + }, + { + "key": "produces", + "source": "GO:0006696", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "regulates", + "source": "GO:0030445", + "target": "MESH:D002463" + }, + { + "key": "in taxon", + "source": "MESH:D002463", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MONDO:0006014" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003022", + "label": "Drug", + "name": "clotrimazole" + }, + { + "id": "UniProt:P10613", + "label": "Protein", + "name": "Lanosterol 14-alpha demethylase" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "MESH:D002463", + "label": "PhenotypicFeature", + "name": "Cell Membrane Permeability" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D002181", + "label": "Disease", + "name": "Candidiasis, Vulvovaginal" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00257#BE0000233", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Ergosterol#Target_for_antifungal_drugs" + ] + }, + { + "comment": "Diaper rash can be caused by different factors, including fungus, when it's known as diaper candidiasis. If a fungal origin is identified, the treatment is based on antifungals (e.g. clotrimazole). Therefore the original cause must be determined first as the treatments vary (https://en.wikipedia.org/wiki/Irritant_diaper_dermatitis#Secondary_infections).", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D003963_1", + "disease": "Diaper rash", + "disease_mesh": "UMLS:C0011974", + "drug": "clotrimazole", + "drug_mesh": "CHEBI:3764", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:3764", + "target": "UniProt:P10613" + }, + { + "key": "positively regulates", + "source": "UniProt:P10613", + "target": "GO:0006696" + }, + { + "key": "produces", + "source": "GO:0006696", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "regulates", + "source": "GO:0030445", + "target": "MESH:D002463" + }, + { + "key": "in taxon", + "source": "MESH:D002463", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "UMLS:C0011974" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003022", + "label": "Drug", + "name": "clotrimazole" + }, + { + "id": "UniProt:P10613", + "label": "Protein", + "name": "Lanosterol 14-alpha demethylase" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "MESH:D002463", + "label": "PhenotypicFeature", + "name": "Cell Membrane Permeability" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D003963", + "label": "Disease", + "name": "Diaper rash" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00257#BE0000233", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Ergosterol#Target_for_antifungal_drugs" + ] + }, + { + "comment": "MESH:D002179 was initially denoted as Candidiasis of skin in the original xls file but the name on the MESH website, which is Candidiasis, Cutaneous, is the one used here for our annotation.", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D002179_1", + "disease": "Candidiasis, Cutaneous", + "disease_mesh": "MONDO:0000879", + "drug": "clotrimazole", + "drug_mesh": "CHEBI:3764", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:3764", + "target": "UniProt:P10613" + }, + { + "key": "positively regulates", + "source": "UniProt:P10613", + "target": "GO:0006696" + }, + { + "key": "produces", + "source": "GO:0006696", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "regulates", + "source": "GO:0030445", + "target": "MESH:D002463" + }, + { + "key": "in taxon", + "source": "MESH:D002463", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MONDO:0000879" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003022", + "label": "Drug", + "name": "clotrimazole" + }, + { + "id": "UniProt:P10613", + "label": "Protein", + "name": "Lanosterol 14-alpha demethylase" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "MESH:D002463", + "label": "PhenotypicFeature", + "name": "Cell Membrane Permeability" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D002179", + "label": "Disease", + "name": "Candidiasis, Cutaneous" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00257#BE0000233", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Ergosterol#Target_for_antifungal_drugs" + ] + }, + { + "comment": "MESH:D002180 was initially denoted as Candidiasis of mouth in the original xls file but the name on the MESH website, which is Candidiasis, Oral, is the one used here.", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D002180_1", + "disease": "Candidiasis, Oral", + "disease_mesh": "MONDO:0005886", + "drug": "clotrimazole", + "drug_mesh": "CHEBI:3764", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:3764", + "target": "UniProt:P10613" + }, + { + "key": "positively regulates", + "source": "UniProt:P10613", + "target": "GO:0006696" + }, + { + "key": "produces", + "source": "GO:0006696", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "regulates", + "source": "GO:0030445", + "target": "MESH:D002463" + }, + { + "key": "in taxon", + "source": "MESH:D002463", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MONDO:0005886" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003022", + "label": "Drug", + "name": "clotrimazole" + }, + { + "id": "UniProt:P10613", + "label": "Protein", + "name": "Lanosterol 14-alpha demethylase" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "MESH:D002463", + "label": "PhenotypicFeature", + "name": "Cell Membrane Permeability" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D002180", + "label": "Disease", + "name": "Candidiasis, Oral" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00257#BE0000233", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Ergosterol#Target_for_antifungal_drugs" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00257_MESH_D014008_1", + "disease": "Tinea pedis", + "disease_mesh": "MONDO:0005984", + "drug": "clotrimazole", + "drug_mesh": "CHEBI:3764", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "disrupts", + "source": "CHEBI:3764", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "in taxon", + "source": "GO:0030445", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MONDO:0005984" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003022", + "label": "Drug", + "name": "clotrimazole" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D014008", + "label": "Disease", + "name": "Tinea pedis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00257#BE0000233", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Ergosterol#Target_for_antifungal_drugs" + ] + }, + { + "comment": "MESH:D014010 was initially denoted as Pityriasis versicolor in the original xls file but the name on the MESH website, Tinea Versicolor, is the one used here for our annotation.", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D014010_1", + "disease": "Tinea Versicolor", + "disease_mesh": "MONDO:0005915", + "drug": "clotrimazole", + "drug_mesh": "CHEBI:3764", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:3764", + "target": "UniProt:P10613" + }, + { + "key": "positively regulates", + "source": "UniProt:P10613", + "target": "GO:0006696" + }, + { + "key": "produces", + "source": "GO:0006696", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "regulates", + "source": "GO:0030445", + "target": "MESH:D002463" + }, + { + "key": "in taxon", + "source": "MESH:D002463", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MONDO:0005915" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003022", + "label": "Drug", + "name": "clotrimazole" + }, + { + "id": "UniProt:P10613", + "label": "Protein", + "name": "Lanosterol 14-alpha demethylase" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "MESH:D002463", + "label": "PhenotypicFeature", + "name": "Cell Membrane Permeability" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D014010", + "label": "Disease", + "name": "Tinea Versicolor" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00257#BE0000233", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Ergosterol#Target_for_antifungal_drugs" + ] + }, + { + "comment": "MESH:D016780 was initially denoted as Falciparum malaria in the original xls file but the name on the MESH website is Malaria, Falciparum, which is the name used here.", + "directed": true, + "graph": { + "_id": "DB09274_MESH_D016778_1", + "disease": "Malaria, Falciparum", + "disease_mesh": "MONDO:0005920", + "drug": "Artesunate", + "drug_mesh": "CHEBI:63918", + "drugbank": "DB:DB09274" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:63918", + "target": "UniProt:P04926" + }, + { + "key": "in taxon", + "source": "UniProt:P04926", + "target": "taxonomy:5833" + }, + { + "key": "causes", + "source": "taxonomy:5833", + "target": "MONDO:0005920" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C111789" + ], + "id": "MESH:D000077332", + "label": "Drug", + "name": "Artesunate" + }, + { + "id": "UniProt:P04926", + "label": "Protein", + "name": "Malaria protein EXP-1" + }, + { + "id": "taxonomy:5833", + "label": "OrganismTaxon", + "name": "Plasmodium falciparum" + }, + { + "id": "MESH:D016778", + "label": "Disease", + "name": "Malaria, Falciparum" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09274#mechanism-of-action", + "https://pubchem.ncbi.nlm.nih.gov/compound/6917864#section=Pharmacology-and-Biochemistry" + ] + }, + { + "comment": "MESH:D016780 was initially denoted as Vivax malaria in the original xls file but the name on the MESH website, Malaria, Vivax, is the one used here.", + "directed": true, + "graph": { + "_id": "DB09274_MESH_D016780_1", + "disease": "Malaria, Vivax", + "disease_mesh": "MONDO:0005921", + "drug": "Artesunate", + "drug_mesh": "CHEBI:63918", + "drugbank": "DB:DB09274" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:63918", + "target": "Pfam:PF06589" + }, + { + "key": "in taxon", + "source": "Pfam:PF06589", + "target": "taxonomy:5855" + }, + { + "key": "causes", + "source": "taxonomy:5855", + "target": "MONDO:0005921" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C111789" + ], + "id": "MESH:D000077332", + "label": "Drug", + "name": "Artesunate" + }, + { + "id": "Pfam:PF06589", + "label": "GeneFamily", + "name": "Circumsporozoite-related antigen (CRA)" + }, + { + "id": "taxonomy:5855", + "label": "OrganismTaxon", + "name": "Plasmodium vivax" + }, + { + "id": "MESH:D016780", + "label": "Disease", + "name": "Malaria, Vivax" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09274#pharmacodynamics", + "https://pubchem.ncbi.nlm.nih.gov/compound/6917864#section=Pharmacology-and-Biochemistry" + ] + }, + { + "comment": "ABT-267 is also known as ombitasvir (see Other names at https://en.wikipedia.org/wiki/Ombitasvir).", + "directed": true, + "graph": { + "_id": "DB09296_MESH_D019698_1", + "disease": "Chronic hepatitis C", + "disease_mesh": "MONDO:0005354", + "drug": "ABT-267", + "drug_mesh": "CHEBI:85183", + "drugbank": "DB:DB09296" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:85183", + "target": "UniProt:Q5L478" + }, + { + "key": "molecularly interacts with", + "source": "UniProt:Q5L478", + "target": "MESH:C000618292" + }, + { + "key": "increases abundance of", + "source": "MESH:C000618292", + "target": "MESH:C037178" + }, + { + "key": "positively correlated with", + "source": "MESH:C037178", + "target": "CHEBI:16113" + }, + { + "key": "located in", + "source": "CHEBI:16113", + "target": "MESH:D000086969" + }, + { + "key": "location of", + "source": "MESH:D000086969", + "target": "GO:0039694" + }, + { + "key": "positively regulates", + "source": "UniProt:Q5L478", + "target": "GO:0003968" + }, + { + "key": "positively regulates", + "source": "GO:0003968", + "target": "GO:0039694" + }, + { + "key": "positively regulates", + "source": "UniProt:Q5L478", + "target": "GO:0004197" + }, + { + "key": "positively regulates", + "source": "UniProt:Q5L478", + "target": "GO:0004252" + }, + { + "key": "positively correlated with", + "source": "GO:0004197", + "target": "MESH:D014779" + }, + { + "key": "positively correlated with", + "source": "GO:0004252", + "target": "MESH:D014779" + }, + { + "key": "positively correlated with", + "source": "MESH:D014779", + "target": "MESH:D019065" + }, + { + "key": "in taxon", + "source": "GO:0039694", + "target": "taxonomy:11103" + }, + { + "key": "in taxon", + "source": "MESH:D019065", + "target": "taxonomy:11103" + }, + { + "key": "causes", + "source": "taxonomy:11103", + "target": "MONDO:0005354" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C586094", + "label": "Drug", + "name": "ABT-267" + }, + { + "id": "UniProt:Q5L478", + "label": "Protein", + "name": "Nonstructural protein 5A" + }, + { + "id": "GO:0003968", + "label": "MolecularActivity", + "name": "RNA-directed 5'-3' RNA polymerase activity" + }, + { + "id": "GO:0039694", + "label": "BiologicalProcess", + "name": "viral RNA genome replication" + }, + { + "id": "MESH:C000618292", + "label": "Protein", + "name": "PI4KIIIalpha protein, human" + }, + { + "id": "MESH:C037178", + "label": "ChemicalSubstance", + "name": "phosphatidylinositol 4-phosphate" + }, + { + "id": "MESH:D002784", + "label": "ChemicalSubstance", + "name": "Cholesterol" + }, + { + "id": "MESH:D000086969", + "label": "CellularComponent", + "name": "Viral Replication Compartments" + }, + { + "id": "GO:0004197", + "label": "MolecularActivity", + "name": "cysteine-type endopeptidase activity" + }, + { + "id": "GO:0004252", + "label": "MolecularActivity", + "name": "serine-type endopeptidase activity" + }, + { + "id": "MESH:D014779", + "label": "BiologicalProcess", + "name": "Virus Replication" + }, + { + "id": "MESH:D019065", + "label": "BiologicalProcess", + "name": "Virus Assembly" + }, + { + "id": "taxonomy:11103", + "label": "OrganismTaxon", + "name": "Hepacivirus C" + }, + { + "id": "MESH:D019698", + "label": "Disease", + "name": "Chronic hepatitis C" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09296#mechanism-of-action", + "https://en.wikipedia.org/wiki/Discovery_and_development_of_NS5A_inhibitors#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Discovery_and_development_of_NS5A_inhibitors#Function", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4246218/", + "https://www.ncbi.nlm.nih.gov/books/NBK1623/" + ] + }, + { + "comment": "Other commonly used names for this drug are inositol nicotinate (CHEBI:50134), myo-inositol hexanicotinate (CHEBI:31699) and inositol hexanicotinate (CHEBI:33064)(https://en.wikipedia.org/wiki/Inositol_nicotinate). This drug is made of niacin (vitamin B3, MESH:D009525) and inositol (MESH:D007294. Note the original drug to curate for this disease was inositol but there is no evidence for it to be used as treatment unless it's bound to nicotinic acid to form inositol hexanicotinate).", + "directed": true, + "graph": { + "_id": "DB08949_MESH_D052456_1", + "disease": "Hypoalphalipoproteinemia", + "disease_mesh": "MONDO:0017773", + "drug": "Inositol Niacinate", + "drug_mesh": "UNII:A99MK953KZ", + "drugbank": "DB:DB08949" + }, + "links": [ + { + "key": "positively regulates", + "source": "UNII:A99MK953KZ", + "target": "UniProt:Q8TDS4" + }, + { + "key": "positively regulates", + "source": "UNII:A99MK953KZ", + "target": "UniProt:P49019" + }, + { + "key": "increases abundance of", + "source": "UniProt:Q8TDS4", + "target": "MESH:D008075" + }, + { + "key": "increases abundance of", + "source": "UniProt:P49019", + "target": "MESH:D008075" + }, + { + "key": "negatively correlated with", + "source": "MESH:D008075", + "target": "MONDO:0017773" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005193", + "label": "Drug", + "name": "Inositol Niacinate" + }, + { + "id": "UniProt:P49019", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 3" + }, + { + "id": "UniProt:Q8TDS4", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 2" + }, + { + "id": "MESH:D008075", + "label": "ChemicalSubstance", + "name": "Lipoproteins, HDL" + }, + { + "id": "MESH:D052456", + "label": "Disease", + "name": "Hypoalphalipoproteinemia" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Hypoalphalipoproteinemia", + "https://en.wikipedia.org/wiki/Niacin#Mechanisms" + ] + }, + { + "comment": "This disease was named Mixed hyperlipidemia in the original file for curation but it's known as Hyperlipidemia, Familial Combined in MESH. Note there does not seem to be any evidence supporting this drug indication (e.g. https://en.wikipedia.org/wiki/Combined_hyperlipidemia#Treatment), so this path is hypothetic and based on the disease phenotype (i.e increased LDL and triglyceride concentrations). Other commonly used names for this drug are inositol nicotinate (CHEBI:50134), myo inositol hexanicotinate (CHEBI:31699) and inositol hexanicotinate (CHEBI:33064)(https://en.wikipedia.org/wiki/Inositol_nicotinate). This drug is made of niacin (vitamin B3, MESH:D009525) and inositol (MESH:D007294. Note the original drug to curate for this disease was inositol but there is no evidence for it to be used as treatment unless it's bound to nicotinic acid to form inositol hexanicotinate.", + "directed": true, + "graph": { + "_id": "DB08949_MESH_D006950_1", + "disease": "Hyperlipidemia, Familial Combined", + "disease_mesh": "MONDO:0007759", + "drug": "Inositol Niacinate", + "drug_mesh": "UNII:A99MK953KZ", + "drugbank": "DB:DB08949" + }, + "links": [ + { + "key": "increases activity of", + "source": "UNII:A99MK953KZ", + "target": "UniProt:P49019" + }, + { + "key": "increases activity of", + "source": "UNII:A99MK953KZ", + "target": "UniProt:Q8TDS4" + }, + { + "key": "participates in", + "source": "UniProt:P49019", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:Q8TDS4", + "target": "reactome:R-HSA-418594" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418594", + "target": "CHEBI:17855" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17855", + "target": "MESH:C032607" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17855", + "target": "CHEBI:47774" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17855", + "target": "MESH:D008077" + }, + { + "key": "positively correlated with", + "source": "MESH:C032607", + "target": "MONDO:0007759" + }, + { + "key": "positively correlated with", + "source": "CHEBI:47774", + "target": "MONDO:0007759" + }, + { + "key": "positively correlated with", + "source": "MESH:D008077", + "target": "MONDO:0007759" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005193", + "label": "Drug", + "name": "Inositol Niacinate" + }, + { + "id": "UniProt:P49019", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 3" + }, + { + "id": "UniProt:Q8TDS4", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 2" + }, + { + "id": "reactome:R-HSA-418594", + "label": "Pathway", + "name": "G alpha (i) signalling events" + }, + { + "id": "MESH:D014280", + "label": "ChemicalSubstance", + "name": "Triglycerides" + }, + { + "id": "MESH:C032607", + "label": "ChemicalSubstance", + "name": "low density lipoprotein triglyceride" + }, + { + "id": "MESH:D008078", + "label": "ChemicalSubstance", + "name": "Cholesterol, LDL" + }, + { + "id": "MESH:D008077", + "label": "ChemicalSubstance", + "name": "Lipoproteins, LDL" + }, + { + "id": "MESH:D006950", + "label": "Disease", + "name": "Hyperlipidemia, Familial Combined" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08949#mechanism-of-action", + "https://en.wikipedia.org/wiki/Triglyceride#Role_in_disease", + "https://pubmed.ncbi.nlm.nih.gov/15083592/", + "https://www.sciencedirect.com/science/article/pii/B978032329738700037X", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5441126/" + ] + }, + { + "comment": "Other commonly used names for this drug are inositol nicotinate (CHEBI:50134), myo-inositol hexanicotinate (CHEBI:31699) and inositol hexanicotinate (CHEBI:33064)(https://en.wikipedia.org/wiki/Inositol_nicotinate). This drug is made of niacin (vitamin B3, MESH:D009525) and inositol (MESH:D007294. Note the original drug to curate for this disease was inositol but there is no evidence for it to be used as treatment unless it's bound to nicotinic acid to form inositol hexanicotinate.", + "directed": true, + "graph": { + "_id": "DB08949_MESH_D015228_1", + "disease": "Hypertriglyceridemia", + "disease_mesh": "MONDO:0005347", + "drug": "Inositol Niacinate", + "drug_mesh": "UNII:A99MK953KZ", + "drugbank": "DB:DB08949" + }, + "links": [ + { + "key": "increases activity of", + "source": "UNII:A99MK953KZ", + "target": "UniProt:P49019" + }, + { + "key": "increases activity of", + "source": "UNII:A99MK953KZ", + "target": "UniProt:Q8TDS4" + }, + { + "key": "participates in", + "source": "UniProt:P49019", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:Q8TDS4", + "target": "reactome:R-HSA-418594" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418594", + "target": "CHEBI:17855" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17855", + "target": "MONDO:0005347" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005193", + "label": "Drug", + "name": "Inositol Niacinate" + }, + { + "id": "UniProt:P49019", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 3" + }, + { + "id": "UniProt:Q8TDS4", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 2" + }, + { + "id": "reactome:R-HSA-418594", + "label": "Pathway", + "name": "G alpha (i) signalling events" + }, + { + "id": "MESH:D014280", + "label": "ChemicalSubstance", + "name": "Triglycerides" + }, + { + "id": "MESH:D015228", + "label": "Disease", + "name": "Hypertriglyceridemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08949#mechanism-of-action", + "https://en.wikipedia.org/wiki/Hypertriglyceridemia#Treatment", + "https://en.wikipedia.org/wiki/Triglyceride#Role_in_disease", + "https://pubmed.ncbi.nlm.nih.gov/15083592/", + "https://www.sciencedirect.com/science/article/pii/B978032329738700037X", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5441126/" + ] + }, + { + "comment": "Other commonly used names for this drug are inositol nicotinate (CHEBI:50134), myo-inositol hexanicotinate (CHEBI:31699) and inositol hexanicotinate (CHEBI:33064)(https://en.wikipedia.org/wiki/Inositol_nicotinate). This drug is made of niacin (vitamin B3, MESH:D009525) and inositol (MESH:D007294. Note the original drug to curate for this disease was inositol but there is no evidence for it to be used as treatment unless it's bound to nicotinic acid to form inositol hexanicotinate.", + "directed": true, + "graph": { + "_id": "DB08949_MESH_D006937_1", + "disease": "Hypercholesterolemia", + "disease_mesh": "HP:0003124", + "drug": "Inositol Niacinate", + "drug_mesh": "UNII:A99MK953KZ", + "drugbank": "DB:DB08949" + }, + "links": [ + { + "key": "increases activity of", + "source": "UNII:A99MK953KZ", + "target": "UniProt:P49019" + }, + { + "key": "increases activity of", + "source": "UNII:A99MK953KZ", + "target": "UniProt:Q8TDS4" + }, + { + "key": "participates in", + "source": "UniProt:P49019", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:Q8TDS4", + "target": "reactome:R-HSA-418594" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418594", + "target": "CHEBI:17855" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17855", + "target": "MESH:C032607" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17855", + "target": "CHEBI:47774" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17855", + "target": "MESH:D008077" + }, + { + "key": "positively correlated with", + "source": "MESH:C032607", + "target": "HP:0003124" + }, + { + "key": "positively correlated with", + "source": "CHEBI:47774", + "target": "HP:0003124" + }, + { + "key": "positively correlated with", + "source": "MESH:D008077", + "target": "HP:0003124" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005193", + "label": "Drug", + "name": "Inositol Niacinate" + }, + { + "id": "UniProt:P49019", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 3" + }, + { + "id": "UniProt:Q8TDS4", + "label": "Protein", + "name": "Hydroxycarboxylic acid receptor 2" + }, + { + "id": "reactome:R-HSA-418594", + "label": "Pathway", + "name": "G alpha (i) signalling events" + }, + { + "id": "MESH:D014280", + "label": "ChemicalSubstance", + "name": "Triglycerides" + }, + { + "id": "MESH:D008077", + "label": "ChemicalSubstance", + "name": "Lipoproteins, LDL" + }, + { + "id": "MESH:C032607", + "label": "ChemicalSubstance", + "name": "low density lipoprotein triglyceride" + }, + { + "id": "MESH:D008078", + "label": "ChemicalSubstance", + "name": "Cholesterol, LDL" + }, + { + "id": "MESH:D006937", + "label": "Disease", + "name": "Hypercholesterolemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08949#mechanism-of-action", + "https://en.wikipedia.org/wiki/Hypercholesterolemia#Medication", + "https://pubmed.ncbi.nlm.nih.gov/15083592/", + "https://www.sciencedirect.com/science/article/pii/B978032329738700037X", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5441126/" + ] + }, + { + "comment": "MESH:D015451 can also be denoted as Chronic lymphoid leukemia.", + "directed": true, + "graph": { + "_id": "DB11581_MESH_D015451_1", + "disease": "Leukemia, Lymphocytic, Chronic, B-Cell", + "disease_mesh": "MONDO:0004948", + "drug": "venetoclax", + "drug_mesh": "CHEBI:133021", + "drugbank": "DB:DB11581" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:133021", + "target": "UniProt:P10415" + }, + { + "key": "positively regulates", + "source": "UniProt:P10415", + "target": "GO:0006915" + }, + { + "key": "located in", + "source": "GO:0006915", + "target": "CL:0000542" + }, + { + "key": "location of", + "source": "CL:0000542", + "target": "MONDO:0004948" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C579720", + "label": "Drug", + "name": "venetoclax" + }, + { + "id": "UniProt:P10415", + "label": "Protein", + "name": "Apoptosis regulator Bcl-2" + }, + { + "id": "GO:0006915", + "label": "BiologicalProcess", + "name": "apoptotic process" + }, + { + "id": "CL:0000542", + "label": "Cell", + "name": "lymphocyte" + }, + { + "id": "MESH:D015451", + "label": "Disease", + "name": "Leukemia, Lymphocytic, Chronic, B-Cell" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB11581#mechanism-of-action", + "https://en.wikipedia.org/wiki/Bcl-2#Venetoclax_(ABT-199)" + ] + }, + { + "comment": "FDA has withdrawn the approval for marketing this drug as per its cardiovascular side-effects.", + "directed": true, + "graph": { + "_id": "DB01191_MESH_D009765_1", + "disease": "Obesity", + "disease_mesh": "MONDO:0011122", + "drug": "dexfenfluramine", + "drug_mesh": "CHEBI:439329", + "drugbank": "DB:DB01191" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:439329", + "target": "UniProt:P31645" + }, + { + "key": "positively regulates", + "source": "UniProt:P31645", + "target": "GO:0051610" + }, + { + "key": "affects risk for", + "source": "GO:0051610", + "target": "HP:0100738" + }, + { + "key": "positively correlated with", + "source": "HP:0100738", + "target": "MONDO:0011122" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D020372", + "label": "Drug", + "name": "dexfenfluramine" + }, + { + "id": "UniProt:P31645", + "label": "Protein", + "name": "Sodium-dependent serotonin transporter" + }, + { + "id": "GO:0051610", + "label": "BiologicalProcess", + "name": "serotonin uptake" + }, + { + "id": "HP:0100738", + "label": "PhenotypicFeature", + "name": "Abnormal eating behavior" + }, + { + "id": "MESH:D009765", + "label": "Disease", + "name": "Obesity" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01191#mechanism-of-action", + "https://en.wikipedia.org/wiki/Dexfenfluramine" + ] + }, + { + "comment": "FDA has withdrawn the approval for marketing this drug as per its cardiovascular side-effects.", + "directed": true, + "graph": { + "_id": "DB01191_MESH_D009765_2", + "disease": "Obesity", + "disease_mesh": "MONDO:0011122", + "drug": "dexfenfluramine", + "drug_mesh": "CHEBI:439329", + "drugbank": "DB:DB01191" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:439329", + "target": "UniProt:P28335" + }, + { + "key": "participates in", + "source": "UniProt:P28335", + "target": "reactome:R-HSA-416476" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-416476", + "target": "GO:0007631" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-416476", + "target": "GO:0032098" + }, + { + "key": "positively correlated with", + "source": "GO:0007631", + "target": "MONDO:0011122" + }, + { + "key": "negatively correlated with", + "source": "GO:0032098", + "target": "MONDO:0011122" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D020372", + "label": "Drug", + "name": "dexfenfluramine" + }, + { + "id": "UniProt:P28335", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 2C" + }, + { + "id": "reactome:R-HSA-416476", + "label": "Pathway", + "name": "G alpha (q) signalling events" + }, + { + "id": "GO:0007631", + "label": "BiologicalProcess", + "name": "feeding behavior" + }, + { + "id": "GO:0032098", + "label": "BiologicalProcess", + "name": "regulation of appetite" + }, + { + "id": "MESH:D009765", + "label": "Disease", + "name": "Obesity" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01191#mechanism-of-action", + "https://en.wikipedia.org/wiki/5-HT2C_receptor_agonist#Obesity", + "https://en.wikipedia.org/wiki/5-HT2C_receptor_agonist#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01009_MESH_D001172_1", + "disease": "Rheumatoid arthritis", + "disease_mesh": "MONDO:0008383", + "drug": "ketoprofen", + "drug_mesh": "CHEBI:6128", + "drugbank": "DB:DB01009" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:6128", + "target": "UniProt:P23219" + }, + { + "key": "negatively regulates", + "source": "CHEBI:6128", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "CHEBI:26333" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0005059" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MONDO:0008383" + }, + { + "key": "positively correlated with", + "source": "HP:0005059", + "target": "MONDO:0008383" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007660", + "label": "Drug", + "name": "ketoprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0005059", + "label": "PhenotypicFeature", + "name": "Arthralgia/arthritis" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "MESH:D001172", + "label": "Disease", + "name": "Rheumatoid arthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01009#mechanism-of-action", + "https://en.wikipedia.org/wiki/Ketoprofen#Mechanism", + "https://en.wikipedia.org/wiki/Rheumatoid_arthritis#Anti-inflammatory_and_analgesic_agents" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01009_MESH_D001172_2", + "disease": "Rheumatoid arthritis", + "disease_mesh": "MONDO:0008383", + "drug": "ketoprofen", + "drug_mesh": "CHEBI:6128", + "drugbank": "DB:DB01009" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:6128", + "target": "UniProt:P25024" + }, + { + "key": "positively regulates", + "source": "UniProt:P25024", + "target": "GO:0030593" + }, + { + "key": "positively regulates", + "source": "UniProt:P25024", + "target": "GO:0002407" + }, + { + "key": "positively correlated with", + "source": "GO:0030593", + "target": "HP:0005059" + }, + { + "key": "positively correlated with", + "source": "GO:0030593", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "GO:0002407", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MONDO:0008383" + }, + { + "key": "positively correlated with", + "source": "HP:0005059", + "target": "MONDO:0008383" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MONDO:0008383" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007660", + "label": "Drug", + "name": "ketoprofen" + }, + { + "id": "UniProt:P25024", + "label": "Protein", + "name": "C-X-C chemokine receptor type 1" + }, + { + "id": "GO:0030593", + "label": "BiologicalProcess", + "name": "neutrophil chemotaxis" + }, + { + "id": "GO:0002407", + "label": "BiologicalProcess", + "name": "dendritic cell chemotaxis" + }, + { + "id": "HP:0005059", + "label": "PhenotypicFeature", + "name": "Arthralgia/arthritis" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D001172", + "label": "Disease", + "name": "Rheumatoid arthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01009#BE0003552", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4943798/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01009_MESH_D010146_1", + "disease": "Pain", + "disease_mesh": "HP:0012531", + "drug": "ketoprofen", + "drug_mesh": "CHEBI:6128", + "drugbank": "DB:DB01009" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:6128", + "target": "UniProt:P23219" + }, + { + "key": "negatively regulates", + "source": "CHEBI:6128", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "CHEBI:26333" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0012531" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007660", + "label": "Drug", + "name": "ketoprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "MESH:D010146", + "label": "Disease", + "name": "Pain" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01009", + "https://en.wikipedia.org/wiki/Analgesic#COX-2_inhibitors" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01009_MESH_D004412_1", + "disease": "Dysmenorrhea", + "disease_mesh": "HP:0100607", + "drug": "ketoprofen", + "drug_mesh": "CHEBI:6128", + "drugbank": "DB:DB01009" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:6128", + "target": "UniProt:P23219" + }, + { + "key": "negatively regulates", + "source": "CHEBI:6128", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "CHEBI:26333" + }, + { + "key": "positively regulates", + "source": "CHEBI:26333", + "target": "GO:0070471" + }, + { + "key": "positively correlated with", + "source": "GO:0070471", + "target": "HP:0100607" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007660", + "label": "Drug", + "name": "ketoprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "GO:0070471", + "label": "BiologicalProcess", + "name": "uterine smooth muscle contraction" + }, + { + "id": "MESH:D004412", + "label": "Disease", + "name": "Dysmenorrhea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01009", + "https://www.aafp.org/afp/1999/0801/p489.html" + ] + }, + { + "comment": "In contrast to rheumatoid arthritis, in osteoarthritis the joints do not become hot or red. (https://en.wikipedia.org/wiki/Osteoarthritis#cite_note-NIH2015-1)", + "directed": true, + "graph": { + "_id": "DB01009_MESH_D010003_1", + "disease": "Osteoarthritis", + "disease_mesh": "MONDO:0005178", + "drug": "ketoprofen", + "drug_mesh": "CHEBI:6128", + "drugbank": "DB:DB01009" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:6128", + "target": "UniProt:P23219" + }, + { + "key": "negatively regulates", + "source": "CHEBI:6128", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "CHEBI:26333" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0002829" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MONDO:0005178" + }, + { + "key": "positively correlated with", + "source": "HP:0002829", + "target": "MONDO:0005178" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007660", + "label": "Drug", + "name": "ketoprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0002829", + "label": "PhenotypicFeature", + "name": "Arthralgia" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "MESH:D010003", + "label": "Disease", + "name": "Osteoarthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01009" + ] + }, + { + "comment": "Other commonly used names for this drug are inositol nicotinate (CHEBI:50134), myo-inositol hexanicotinate (CHEBI:31699) and inositol hexanicotinate (CHEBI:33064)(https://en.wikipedia.org/wiki/Inositol_nicotinate). This drug is made of niacin (vitamin B3, MESH:D009525) and inositol (MESH:D007294. Note the original drug to curate for this disease was inositol but there is no evidence for it to be used as treatment unless it's bound to nicotinic acid to form inositol hexanicotinate.", + "directed": true, + "graph": { + "_id": "DB08949_MESH_D010383_1", + "disease": "Pellagra", + "disease_mesh": "MONDO:0019975", + "drug": "Inositol Niacinate", + "drug_mesh": "UNII:A99MK953KZ", + "drugbank": "DB:DB08949" + }, + "links": [ + { + "key": "increases abundance of", + "source": "UNII:A99MK953KZ", + "target": "CHEBI:15940" + }, + { + "key": "increases abundance of", + "source": "CHEBI:15940", + "target": "CHEBI:17154" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:17154", + "target": "MONDO:0019975" + }, + { + "key": "positively correlated with", + "source": "MONDO:0019975", + "target": "MONDO:0019975" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005193", + "label": "Drug", + "name": "Inositol Niacinate" + }, + { + "id": "CHEBI:15940", + "label": "ChemicalSubstance", + "name": "nicotinic acid" + }, + { + "id": "CHEBI:17154", + "label": "ChemicalSubstance", + "name": "nicotinamide" + }, + { + "id": "HP:0100497", + "label": "PhenotypicFeature", + "name": "Vitamin B3 deficiency" + }, + { + "id": "MESH:D010383", + "label": "Disease", + "name": "Pellagra" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08949#mechanism-of-action", + "https://pubchem.ncbi.nlm.nih.gov/compound/3720#section=Drug-and-Medication-Information", + "https://en.wikipedia.org/wiki/Pellagra#Treatment", + "https://en.wikipedia.org/wiki/Nicotinamide", + "https://en.wikipedia.org/wiki/Nicotinamide#Niacin_deficiency", + "https://onlinelibrary.wiley.com/doi/epdf/10.1002/jppr.1250" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00257_MESH_D000152_1", + "disease": "Acne vulgaris", + "disease_mesh": "MONDO:0011438", + "drug": "Adapalene", + "drug_mesh": "CHEBI:31174", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:31174", + "target": "MESH:D018168" + }, + { + "key": "negatively regulates", + "source": "MESH:D018168", + "target": "GO:0031424" + }, + { + "key": "increases abundance of", + "source": "GO:0031424", + "target": "HP:0025249" + }, + { + "key": "positively correlated with", + "source": "HP:0025249", + "target": "MONDO:0011438" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068816", + "label": "Drug", + "name": "Adapalene" + }, + { + "id": "MESH:D018168", + "label": "GeneFamily", + "name": "Receptors, Retinoic Acid" + }, + { + "id": "GO:0031424", + "label": "BiologicalProcess", + "name": "keratinization" + }, + { + "id": "HP:0025249", + "label": "PhenotypicFeature", + "name": "Comedo" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00210#mechanism-of-action", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2374937/", + "https://en.wikipedia.org/wiki/Adapalene#Pharmacodynamics", + "https://pubmed.ncbi.nlm.nih.gov/19929446/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00257_MESH_D000152_2", + "disease": "Acne vulgaris", + "disease_mesh": "MONDO:0011438", + "drug": "Adapalene", + "drug_mesh": "CHEBI:31174", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:31174", + "target": "UniProt:O60603" + }, + { + "key": "positively regulates", + "source": "UniProt:O60603", + "target": "UniProt:P05412" + }, + { + "key": "positively correlated with", + "source": "UniProt:P05412", + "target": "GO:0006954" + }, + { + "key": "caused by", + "source": "GO:0006954", + "target": "taxonomy:1747" + }, + { + "key": "positively correlated with", + "source": "taxonomy:1747", + "target": "MONDO:0011438" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068816", + "label": "Drug", + "name": "Adapalene" + }, + { + "id": "UniProt:O60603", + "label": "Protein", + "name": "Toll-like receptor 2" + }, + { + "id": "UniProt:P05412", + "label": "Protein", + "name": "Transcription factor AP-1" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "taxonomy:1747", + "label": "OrganismTaxon", + "name": "Cutibacterium acnes" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00210#mechanism-of-action", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2374937/", + "https://en.wikipedia.org/wiki/Adapalene#Pharmacodynamics", + "https://pubmed.ncbi.nlm.nih.gov/19929446/" + ] + }, + { + "comment": "Tegafur has the active antineoplastic metabolite, 5-fluorouracil (5-FU). The 5-FU is then converted into 5-fluoro-deoxyuridine-monophosphate and 5-fluorouridine-triphosphate in the cell.", + "directed": true, + "graph": { + "_id": "DB09256_MESH_D013274_1", + "disease": "Stomach Neoplasms", + "disease_mesh": "MONDO:0021085", + "drug": "Tegafur", + "drug_mesh": "CHEBI:32188", + "drugbank": "DB:DB09256" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:32188", + "target": "CHEBI:46345" + }, + { + "key": "has active ingredient", + "source": "CHEBI:46345", + "target": "CHEBI:2129" + }, + { + "key": "has active ingredient", + "source": "CHEBI:46345", + "target": "PUBCHEM.COMPOUND:10255482" + }, + { + "key": "decreases activity of", + "source": "CHEBI:2129", + "target": "UniProt:P04818" + }, + { + "key": "positively regulates", + "source": "UniProt:P04818", + "target": "GO:0071897" + }, + { + "key": "occurs in", + "source": "GO:0071897", + "target": "CL:0001063" + }, + { + "key": "disrupts", + "source": "PUBCHEM.COMPOUND:10255482", + "target": "GO:0032774" + }, + { + "key": "occurs in", + "source": "GO:0032774", + "target": "CL:0001063" + }, + { + "key": "contributes to", + "source": "CL:0001063", + "target": "MONDO:0021085" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005641", + "label": "Drug", + "name": "Tegafur" + }, + { + "id": "MESH:D005472", + "label": "ChemicalSubstance", + "name": "Fluorouracil" + }, + { + "id": "MESH:D005468", + "label": "ChemicalSubstance", + "name": "Fluorodeoxyuridylate" + }, + { + "id": "MESH:C025635", + "label": "ChemicalSubstance", + "name": "5-fluorouridine 5'-triphosphate" + }, + { + "id": "UniProt:P04818", + "label": "Protein", + "name": "Thymidylate synthase" + }, + { + "id": "GO:0071897", + "label": "BiologicalProcess", + "name": "DNA biosynthetic process" + }, + { + "id": "GO:0032774", + "label": "BiologicalProcess", + "name": "RNA biosynthetic process" + }, + { + "id": "CL:0001063", + "label": "Cell", + "name": "neoplastic cell" + }, + { + "id": "MESH:D013274", + "label": "Disease", + "name": "Stomach Neoplasms" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09256#mechanism-of-action", + "https://drugs.ncats.io/substances?q=%22TEGAFUR%22", + "https://www.uniprot.org/uniprot/P04818#function", + "https://en.wikipedia.org/wiki/Stomach_cancer" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01267_MESH_D012559_1", + "disease": "Schizophrenia", + "disease_mesh": "MONDO:0005090", + "drug": "Paliperidone Palmitate", + "drug_mesh": "CHEBI:83807", + "drugbank": "DB:DB01267" + }, + "links": [ + { + "key": "is metabolite of", + "source": "CHEBI:83807", + "target": "CHEBI:8871" + }, + { + "key": "decreases activity of", + "source": "CHEBI:8871", + "target": "UniProt:P28223" + }, + { + "key": "decreases activity of", + "source": "CHEBI:8871", + "target": "UniProt:P14416" + }, + { + "key": "participates in", + "source": "UniProt:P28223", + "target": "GO:1904014" + }, + { + "key": "participates in", + "source": "UniProt:P14416", + "target": "GO:1903350" + }, + { + "key": "correlated with", + "source": "GO:1903350", + "target": "HP:0000738" + }, + { + "key": "correlated with", + "source": "GO:1904014", + "target": "MONDO:0005090" + }, + { + "key": "manifestation of", + "source": "HP:0000738", + "target": "MONDO:0005090" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068882", + "label": "Drug", + "name": "Paliperidone Palmitate" + }, + { + "id": "MESH:D018967", + "label": "ChemicalSubstance", + "name": "Risperidone" + }, + { + "id": "UniProt:P28223", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 2A" + }, + { + "id": "UniProt:P14416", + "label": "Protein", + "name": "D(2) dopamine receptor" + }, + { + "id": "GO:1904014", + "label": "BiologicalProcess", + "name": "response to serotonin" + }, + { + "id": "GO:1903350", + "label": "BiologicalProcess", + "name": "response to dopamine" + }, + { + "id": "HP:0000738", + "label": "PhenotypicFeature", + "name": "Hallucinations" + }, + { + "id": "MESH:D012559", + "label": "Disease", + "name": "Schizophrenia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01267#mechanism-of-action", + "https://en.wikipedia.org/wiki/Paliperidone#Pharmacology", + "https://www.uniprot.org/uniprot/P28223#function", + "https://www.uniprot.org/uniprot/P14416#function", + "https://en.wikipedia.org/wiki/Schizophrenia" + ] + }, + { + "comment": "The drug, tandospirone is under investigational.", + "directed": true, + "graph": { + "_id": "DB12833_MESH_D002012_1", + "disease": "Bruxism", + "disease_mesh": "MONDO:0002443", + "drug": "tandospirone", + "drug_mesh": "CHEBI:145673", + "drugbank": "DB:DB12833" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:145673", + "target": "UniProt:P08908" + }, + { + "key": "correlated with", + "source": "UniProt:P08908", + "target": "CHEBI:28790" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:28790", + "target": "MONDO:0011918" + }, + { + "key": "positively correlated with", + "source": "MONDO:0011918", + "target": "MONDO:0002443" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C055267", + "label": "Drug", + "name": "tandospirone" + }, + { + "id": "UniProt:P08908", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 1A" + }, + { + "id": "MESH:D012701", + "label": "ChemicalSubstance", + "name": "Serotonin" + }, + { + "id": "HP:0000739", + "label": "PhenotypicFeature", + "name": "Anxiety" + }, + { + "id": "MESH:D002012", + "label": "Disease", + "name": "Bruxism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB12833#mechanism-of-action", + "https://drugs.ncats.io/substances?q=%22TANDOSPIRONE%22", + "https://en.wikipedia.org/wiki/Tandospirone#Anxiety_and_depression", + "https://www.uniprot.org/uniprot/P08908#function", + "https://en.wikipedia.org/wiki/Bruxism" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09079_MESH_D002289_1", + "disease": "Carcinoma, Non-Small-Cell Lung", + "disease_mesh": "MONDO:0005233", + "drug": "nintedanib", + "drug_mesh": "UNII:G6HRD2P839", + "drugbank": "DB:DB09079" + }, + "links": [ + { + "key": "decreases activity of", + "source": "UNII:G6HRD2P839", + "target": "UniProt:P35236" + }, + { + "key": "decreases activity of", + "source": "UNII:G6HRD2P839", + "target": "UniProt:P17948" + }, + { + "key": "decreases activity of", + "source": "UNII:G6HRD2P839", + "target": "UniProt:P35968" + }, + { + "key": "decreases activity of", + "source": "UNII:G6HRD2P839", + "target": "UniProt:P35916" + }, + { + "key": "decreases activity of", + "source": "UNII:G6HRD2P839", + "target": "InterPro:IPR006782" + }, + { + "key": "decreases activity of", + "source": "UNII:G6HRD2P839", + "target": "InterPro:IPR016248" + }, + { + "key": "participates in", + "source": "UniProt:P35236", + "target": "reactome:R-HSA-162582" + }, + { + "key": "participates in", + "source": "UniProt:P17948", + "target": "reactome:R-HSA-5218921" + }, + { + "key": "participates in", + "source": "UniProt:P35968", + "target": "reactome:R-HSA-5218921" + }, + { + "key": "participates in", + "source": "UniProt:P35916", + "target": "reactome:R-HSA-5218921" + }, + { + "key": "participates in", + "source": "InterPro:IPR006782", + "target": "reactome:R-HSA-186797" + }, + { + "key": "participates in", + "source": "InterPro:IPR016248", + "target": "reactome:R-HSA-190236" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-162582", + "target": "GO:0008283" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-5218921", + "target": "GO:0008283" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-186797", + "target": "GO:0008283" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-190236", + "target": "GO:0008283" + }, + { + "key": "contributes to", + "source": "GO:0008283", + "target": "MONDO:0005233" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C530716", + "label": "Drug", + "name": "nintedanib" + }, + { + "id": "UniProt:P35236", + "label": "Protein", + "name": "Tyrosine-protein phosphatase non-receptor type" + }, + { + "id": "UniProt:P17948", + "label": "Protein", + "name": "Vascular endothelial growth factor receptor 1" + }, + { + "id": "UniProt:P35968", + "label": "Protein", + "name": "Vascular endothelial growth factor receptor 2" + }, + { + "id": "UniProt:P35916", + "label": "Protein", + "name": "Vascular endothelial growth factor receptor 3" + }, + { + "id": "InterPro:IPR006782", + "label": "GeneFamily", + "name": "Platelet-derived growth factor, N-terminal" + }, + { + "id": "InterPro:IPR016248", + "label": "GeneFamily", + "name": "Fibroblast growth factor receptor family" + }, + { + "id": "reactome:R-HSA-162582", + "label": "Pathway", + "name": "Signal Transduction" + }, + { + "id": "reactome:R-HSA-5218921", + "label": "Pathway", + "name": "VEGFR2 mediated cell proliferation" + }, + { + "id": "reactome:R-HSA-186797", + "label": "Pathway", + "name": "Signaling by PDGF" + }, + { + "id": "reactome:R-HSA-190236", + "label": "Pathway", + "name": "Signaling by FGFR" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "MESH:D002289", + "label": "Disease", + "name": "Carcinoma, Non-Small-Cell Lung" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09079#mechanism-of-action", + "https://en.wikipedia.org/wiki/Nintedanib#Mechanism_of_action", + "https://www.uniprot.org/uniprot/P35236#function", + "https://www.uniprot.org/uniprot/P17948#function", + "https://www.uniprot.org/uniprot/P35968#function", + "https://www.uniprot.org/uniprot/P35916#function", + "https://www.ncbi.nlm.nih.gov/books/NBK585049/", + "https://en.wikipedia.org/wiki/Non-small-cell_lung_cancer" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09079_MESH_D000080203_1", + "disease": "Hamman-Rich Syndrome", + "disease_mesh": "MONDO:0019203", + "drug": "nintedanib", + "drug_mesh": "UNII:G6HRD2P839", + "drugbank": "DB:DB09079" + }, + "links": [ + { + "key": "decreases activity of", + "source": "UNII:G6HRD2P839", + "target": "UniProt:P35236" + }, + { + "key": "decreases activity of", + "source": "UNII:G6HRD2P839", + "target": "UniProt:P17948" + }, + { + "key": "decreases activity of", + "source": "UNII:G6HRD2P839", + "target": "UniProt:P35968" + }, + { + "key": "decreases activity of", + "source": "UNII:G6HRD2P839", + "target": "UniProt:P35916" + }, + { + "key": "decreases activity of", + "source": "UNII:G6HRD2P839", + "target": "InterPro:IPR006782" + }, + { + "key": "decreases activity of", + "source": "UNII:G6HRD2P839", + "target": "InterPro:IPR016248" + }, + { + "key": "participates in", + "source": "UniProt:P35236", + "target": "reactome:R-HSA-162582" + }, + { + "key": "participates in", + "source": "UniProt:P17948", + "target": "reactome:R-HSA-5218921" + }, + { + "key": "participates in", + "source": "UniProt:P35968", + "target": "reactome:R-HSA-5218921" + }, 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"Acquired partial lipodystrophy" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09046#BE0003376", + "https://en.wikipedia.org/wiki/Lipodystrophy" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09046_MESH_D052497_1", + "disease": "Congenital generalized lipodystrophy", + "disease_mesh": "MONDO:0006536", + "drug": "Metreleptin", + "drug_mesh": "UNII:TL60C27RLH", + "drugbank": "DB:DB09046" + }, + "links": [ + { + "key": "increases activity of", + "source": "UNII:TL60C27RLH", + "target": "UniProt:P48357" + }, + { + "key": "positively correlated with", + "source": "UniProt:P48357", + "target": "PUBCHEM.COMPOUND:157010069" + }, + { + "key": "produced by", + "source": "PUBCHEM.COMPOUND:157010069", + "target": "UBERON:0001013" + }, + { + "key": "negatively correlated with", + "source": "UBERON:0001013", + "target": "MONDO:0006536" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C415771", + "label": "Drug", + "name": "Metreleptin" + }, + { + "id": "UniProt:P48357", + "label": "Protein", + "name": "Leptin receptor" + }, + { + "id": "MESH:D020738", + "label": "ChemicalSubstance", + "name": "Leptin" + }, + { + "id": "UBERON:0001013", + "label": "GrossAnatomicalStructure", + "name": "Adipose tissue" + }, + { + "id": "MESH:D052497", + "label": "Disease", + "name": "Congenital generalized lipodystrophy" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09046#BE0003376", + "https://en.wikipedia.org/wiki/Congenital_generalized_lipodystrophy" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09093_MESH_D014141_1", + "disease": "Trachoma", + "disease_mesh": "MONDO:0001249", + "drug": "Chlortetracycline", + "drug_mesh": "UNII:WCK1KIQ23Q", + "drugbank": "DB:DB09093" + }, + "links": [ + { + "key": "decreases activity of", + "source": "UNII:WCK1KIQ23Q", + "target": "InterPro:IPR030826" + }, + { + "key": "decreases activity of", + "source": "UNII:WCK1KIQ23Q", + "target": "MESH:D012336" + }, + { + "key": "participates in", + 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"https://en.wikipedia.org/wiki/Trachoma" + ] + }, + { + "comment": "Diagnostic aid", + "directed": true, + "graph": { + "_id": "DB09352_MESH_D015878_1", + "disease": "Mydriasis", + "disease_mesh": "HP:0011499", + "drug": "Hydroxyamfetamine", + "drug_mesh": "CHEBI:103855", + "drugbank": "DB:DB09352" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:103855", + "target": "GO:0061533" + }, + { + "key": "positively regulates", + "source": "GO:0061533", + "target": "UniProt:P35348" + }, + { + "key": "positively regulates", + "source": "UniProt:P35348", + "target": "HP:0011499" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010136", + "label": "Drug", + "name": "Hydroxyamfetamine" + }, + { + "id": "GO:0061533", + "label": "BiologicalProcess", + "name": "Norepinephrine secretion, neurotransmissions" + }, + { + "id": "UniProt:P35348", + "label": "Protein", + "name": "Alpha-1A adrenergic receptor" + }, + { + "id": "MESH:D015878", + "label": "Disease", + "name": "Mydriasis" + } + ], + "reference": [ + "https://pubchem.ncbi.nlm.nih.gov/compound/3651", + "https://go.drugbank.com/drugs/DB09352" + ] + }, + { + "comment": "Heme (MESH:D006418) and hemin (MESH:D006427) are related substances resulting from the parasite hemoglobin catabolism. Heme is bound to iron whereas hemin is the hydroxide counterpart of heme. Both are cytotoxic. Hemin is also known as hematin.", + "directed": true, + "graph": { + "_id": "DB12975_MESH_D016780_1", + "disease": "Malaria, Vivax", + "disease_mesh": "MONDO:0005921", + "drug": "Pyronaridine", + "drug_mesh": "CHEBI:135951", + "drugbank": "DB:DB12975" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:135951", + "target": "GO:0042540" + }, + { + "key": "increases abundance of", + "source": "GO:0042540", + "target": "UNII:42VZT0U6YR" + }, + { + "key": "disrupts", + "source": "UNII:42VZT0U6YR", + "target": "taxonomy:5855" + }, + { + "key": "causes", + "source": "taxonomy:5855", + "target": "MONDO:0005921" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C027871", + "label": "Drug", + "name": "Pyronaridine" + }, + { + "id": "GO:0042540", + "label": "BiologicalProcess", + "name": "hemoglobin catabolic process" + }, + { + "id": "MESH:D006418", + "label": "ChemicalSubstance", + "name": "Heme" + }, + { + "id": "taxonomy:5855", + "label": "OrganismTaxon", + "name": "Plasmodium vivax" + }, + { + "id": "MESH:D016780", + "label": "Disease", + "name": "Malaria, Vivax" + } + ], + "reference": [ + "https://www.ema.europa.eu/en/documents/medicine-outside-eu/pyramax-product-information_en.pdf", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3483207/" + ] + }, + { + "comment": "Hemin (MESH:D006427) and heme (MESH:D006418) are related substances resulting from the parasite hemoglobin catabolism. Heme is bound to iron whereas hemin is the hydroxide counterpart of heme. Both are cytotoxic. Hemin is also known as hematin.", + "directed": true, + "graph": { + "_id": "DB12975_MESH_D016780_2", + "disease": "Malaria, Vivax", + "disease_mesh": "MONDO:0005921", + "drug": "Pyronaridine", + "drug_mesh": "CHEBI:135951", + "drugbank": "DB:DB12975" + }, + "links": [ + { + "key": "molecularly interacts with", + "source": "CHEBI:135951", + "target": "UNII:743LRP9S7N" + }, + { + "key": "disrupts", + "source": "UNII:743LRP9S7N", + "target": "CL:0000232" + }, + { + "key": "location of", + "source": "CL:0000232", + "target": "GO:0019954" + }, + { + "key": "in taxon", + "source": "GO:0019954", + "target": "taxonomy:5855" + }, + { + "key": "causes", + "source": "taxonomy:5855", + "target": "MONDO:0005921" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C027871", + "label": "Drug", + "name": "Pyronaridine" + }, + { + "id": "MESH:D006427", + "label": "ChemicalSubstance", + "name": "Hemin" + }, + { + "id": "CL:0000232", + "label": "Cell", + "name": "erythrocyte" + }, + { + "id": "GO:0019954", + "label": "BiologicalProcess", + "name": "asexual reproduction" + }, + { + "id": "taxonomy:5855", + "label": "OrganismTaxon", + "name": "Plasmodium vivax" + }, + { + "id": "MESH:D016780", + "label": "Disease", + "name": "Malaria, Vivax" + } + ], + "reference": [ + "https://www.ema.europa.eu/en/documents/medicine-outside-eu/pyramax-product-information_en.pdf" + ] + }, + { + "comment": "Heme (MESH:D006418) and hemin (MESH:D006427) are related substances resulting from the parasite hemoglobin catabolism. Heme is bound to iron whereas hemin is the hydroxide counterpart of heme. Both are cytotoxic. Hemin is also known as hematin.", + "directed": true, + "graph": { + "_id": "DB12975_MESH_D016778_1", + "disease": "Malaria, Falciparum", + "disease_mesh": "MONDO:0005920", + "drug": "Pyronaridine", + "drug_mesh": "CHEBI:135951", + "drugbank": "DB:DB12975" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:135951", + "target": "GO:0042540" + }, + { + "key": "increases abundance of", + "source": "GO:0042540", + "target": "UNII:42VZT0U6YR" + }, + { + "key": "disrupts", + "source": "UNII:42VZT0U6YR", + "target": "taxonomy:5833" + }, + { + "key": "causes", + "source": "taxonomy:5833", + "target": "MONDO:0005920" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C027871", + "label": "Drug", + "name": "Pyronaridine" + }, + { + "id": "GO:0042540", + "label": "BiologicalProcess", + "name": "hemoglobin catabolic process" + }, + { + "id": "MESH:D006418", + "label": "ChemicalSubstance", + "name": "Heme" + }, + { + "id": "taxonomy:5833", + "label": "OrganismTaxon", + "name": "Plasmodium falciparum" + }, + { + "id": "MESH:D016778", + "label": "Disease", + "name": "Malaria, Falciparum" + } + ], + "reference": [ + "https://www.ema.europa.eu/en/documents/medicine-outside-eu/pyramax-product-information_en.pdf", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3483207/" + ] + }, + { + "comment": "Hemin (MESH:D006427) and heme (MESH:D006418) are related substances resulting from the parasite hemoglobin catabolism. Heme is bound to iron whereas hemin is the hydroxide counterpart of heme. Both are cytotoxic. Hemin is also known as hematin.", + "directed": true, + "graph": { + "_id": "DB12975_MESH_D016778_2", + "disease": "Malaria, Falciparum", + "disease_mesh": "MONDO:0005920", + "drug": "Pyronaridine", + "drug_mesh": "CHEBI:135951", + "drugbank": "DB:DB12975" + }, + "links": [ + { + "key": "molecularly interacts with", + "source": "CHEBI:135951", + "target": "UNII:743LRP9S7N" + }, + { + "key": "disrupts", + "source": "UNII:743LRP9S7N", + "target": "CL:0000232" + }, + { + "key": "location of", + "source": "CL:0000232", + "target": "GO:0019954" + }, + { + "key": "in taxon", + "source": "GO:0019954", + "target": "taxonomy:5833" + }, + { + "key": "causes", + "source": "taxonomy:5833", + "target": "MONDO:0005920" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C027871", + "label": "Drug", + "name": "Pyronaridine" + }, + { + "id": "MESH:D006427", + "label": "ChemicalSubstance", + "name": "Hemin" + }, + { + "id": "CL:0000232", + "label": "Cell", + "name": "erythrocyte" + }, + { + "id": "GO:0019954", + "label": "BiologicalProcess", + "name": "asexual reproduction" + }, + { + "id": "taxonomy:5833", + "label": "OrganismTaxon", + "name": "Plasmodium falciparum" + }, + { + "id": "MESH:D016778", + "label": "Disease", + "name": "Malaria, Falciparum" + } + ], + "reference": [ + "https://www.ema.europa.eu/en/documents/medicine-outside-eu/pyramax-product-information_en.pdf" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00257_MESH_D012628_1", + "disease": "Seborrheic dermatitis", + "disease_mesh": "MONDO:0006608", + "drug": "sulfur", + "drug_mesh": "CHEBI:26833", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "precedes", + "source": "CHEBI:26833", + "target": "UNII:YY9FVM7NSN" + }, + { + "key": "subclass of", + "source": "UNII:YY9FVM7NSN", + "target": "CHEBI:50176" + }, + { + "key": "subclass of", + "source": "UNII:YY9FVM7NSN", + "target": "CHEBI:86327" + }, + { + "key": "disrupts", + "source": "CHEBI:86327", + "target": "taxonomy:55193" + }, + { + "key": "causes", + "source": "taxonomy:55193", + "target": "MONDO:0006608" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:50176", + "target": "MONDO:0006608" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013455", + "label": "Drug", + "name": "sulfur" + }, + { + "id": "CHEBI:16136", + "label": "ChemicalSubstance", + "name": "hydrogen sulfide" + }, + { + "id": "MESH:D000935", + "label": "Drug", + "name": "Antifungal Agents" + }, + { + "id": "MESH:D007641", + "label": "Drug", + "name": "Keratolytic Agents" + }, + { + "id": "taxonomy:55193", + "label": "OrganismTaxon", + "name": "Malassezia" + }, + { + "id": "MESH:D012628", + "label": "Disease", + "name": "Seborrheic dermatitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09353#mechanism-of-action", + "https://en.wikipedia.org/wiki/Seborrhoeic_dermatitis#Causes" + ] + }, + { + "comment": "The disease is denoted as Acute necrotizing ulcerative gingivitis in the original file but the name used for the path is the one seen in the MESH website.", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D005892_1", + "disease": "Gingivitis, Necrotizing Ulcerative", + "disease_mesh": "MONDO:0006865", + "drug": "sulfur", + "drug_mesh": "CHEBI:26833", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "precedes", + "source": "CHEBI:26833", + "target": "UNII:YY9FVM7NSN" + }, + { + "key": "subclass of", + "source": "UNII:YY9FVM7NSN", + "target": "CHEBI:36047" + }, + { + "key": "disrupts", + "source": "CHEBI:36047", + "target": "taxonomy:28131" + }, + { + "key": "disrupts", + "source": "CHEBI:36047", + "target": "taxonomy:848" + }, + { + "key": "disrupts", + "source": "CHEBI:36047", + "target": "taxonomy:157" + }, + { + "key": "causes", + "source": "taxonomy:157", + "target": "MONDO:0006865" + }, + { + "key": "causes", + "source": "taxonomy:848", + "target": "MONDO:0006865" + }, + { + "key": "causes", + "source": "taxonomy:28131", + "target": "MONDO:0006865" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013455", + "label": "Drug", + "name": "sulfur" + }, + { + "id": "CHEBI:16136", + "label": "ChemicalSubstance", + "name": "hydrogen sulfide" + }, + { + "id": "MESH:D000900", + "label": "Drug", + "name": "Anti-Bacterial Agents" + }, + { + "id": "taxonomy:157", + "label": "OrganismTaxon", + "name": "Treponema" + }, + { + "id": "taxonomy:848", + "label": "OrganismTaxon", + "name": "Fusobacterium" + }, + { + "id": "taxonomy:28131", + "label": "OrganismTaxon", + "name": "Prevotella intermedia" + }, + { + "id": "MESH:D005892", + "label": "Disease", + "name": "Gingivitis, Necrotizing Ulcerative" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09353#mechanism-of-action", + "https://en.wikipedia.org/wiki/Acute_necrotizing_ulcerative_gingivitis#Causes" + ] + }, + { + "comment": "Sulfur's usefulness as a topical remedy for acne dates back to at least the reign of Cleopatra i.e. 69\u201330 BCE (https://en.wikipedia.org/wiki/Acne#History).", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D000152_3", + "disease": "Acne vulgaris", + "disease_mesh": "MONDO:0011438", + "drug": "sulfur", + "drug_mesh": "CHEBI:26833", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "precedes", + "source": "CHEBI:26833", + "target": "UNII:YY9FVM7NSN" + }, + { + "key": "subclass of", + "source": "UNII:YY9FVM7NSN", + "target": "CHEBI:50176" + }, + { + "key": "subclass of", + "source": "UNII:YY9FVM7NSN", + "target": "CHEBI:36047" + }, + { + "key": "disrupts", + "source": "CHEBI:36047", + "target": "taxonomy:1747" + }, + { + "key": "decreases abundance of", + "source": "CHEBI:50176", + "target": "HP:0025249" + }, + { + "key": "causes", + "source": "taxonomy:1747", + "target": "MONDO:0011438" + }, + { + "key": "positively correlated with", + "source": "HP:0025249", + "target": "MONDO:0011438" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013455", + "label": "Drug", + "name": "sulfur" + }, + { + "id": "CHEBI:16136", + "label": "ChemicalSubstance", + "name": "hydrogen sulfide" + }, + { + "id": "MESH:D000900", + "label": "Drug", + "name": "Anti-Bacterial Agents" + }, + { + "id": "MESH:D007641", + "label": "Drug", + "name": "Keratolytic Agents" + }, + { + "id": "HP:0025249", + "label": "PhenotypicFeature", + "name": "Comedo" + }, + { + "id": "taxonomy:1747", + "label": "OrganismTaxon", + "name": "Cutibacterium acnes" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09353#mechanism-of-action" + ] + }, + { + "comment": "The disease is denoted as Aphthous ulcer of mouth in the original file but the name used for the path is the one seen in the MESH website. The causes for this disease are not well known (https://ada.com/conditions/aphthous-ulcers/#causes). It's important to prevent secondary infection of the ulcers (https://en.wikipedia.org/wiki/Aphthous_stomatitis#Medication); that's when anti-bacterial agents can be administered.", + "directed": true, + "graph": { + "_id": "DB00257_MESH_D013281_1", + "disease": "Stomatitis, Aphthous", + "disease_mesh": "MONDO:0005318", + "drug": "sulfur", + "drug_mesh": "CHEBI:26833", + "drugbank": "DB:DB00257" + }, + "links": [ + { + "key": "precedes", + "source": "CHEBI:26833", + "target": "UNII:YY9FVM7NSN" + }, + { + "key": "subclass of", + "source": "UNII:YY9FVM7NSN", + "target": "CHEBI:36047" + }, + { + "key": "disrupts", + "source": "CHEBI:36047", + "target": "taxonomy:210" + }, + { + "key": "causes", + "source": "taxonomy:210", + "target": "MONDO:0005318" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013455", + "label": "Drug", + "name": "sulfur" + }, + { + "id": "CHEBI:16136", + "label": "ChemicalSubstance", + "name": "hydrogen sulfide" + }, + { + "id": "MESH:D000900", + "label": "Drug", + "name": "Anti-Bacterial Agents" + }, + { + "id": "taxonomy:210", + "label": "OrganismTaxon", + "name": "Helicobacter pylori" + }, + { + "id": "MESH:D013281", + "label": "Disease", + "name": "Stomatitis, Aphthous" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09353#mechanism-of-action", + "https://ada.com/conditions/aphthous-ulcers/#causes", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4441245/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4002348/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3227248/", + "https://www.mayoclinic.org/diseases-conditions/canker-sore/symptoms-causes/syc-20370615" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01416_MESH_D011018_1", + "disease": "Pneumococcal pneumonia", + "disease_mesh": "MONDO:0005972", + "drug": "cefpodoxime proxetil", + "drug_mesh": "MESH:C053267", + "drugbank": "DB:DB01416" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR012338" + }, + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR037532" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR012338", + "target": "GO:0009252" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR037532", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0071555" + }, + { + "key": "in taxon", + "source": "GO:0071555", + "target": "taxonomy:1313" + }, + { + "key": "causes", + "source": "taxonomy:1313", + "target": "MONDO:0005972" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C053268" + ], + "id": "MESH:C053267", + "label": "Drug", + "name": "cefpodoxime proxetil" + }, + { + "id": "InterPro:IPR012338", + "label": "GeneFamily", + "name": "Beta-lactamase/transpeptidase-like" + }, + { + "id": "InterPro:IPR037532", + "label": "GeneFamily", + "name": "Peptidoglycan D,D-transpeptidase FtsI" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0071555", + "label": "BiologicalProcess", + "name": "cell wall organization" + }, + { + "id": "taxonomy:1313", + "label": "OrganismTaxon", + "name": "Streptococcus pneumoniae" + }, + { + "id": "MESH:D011018", + "label": "Disease", + "name": "Pneumococcal pneumonia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01416#mechanism-of-action", + "https://en.wikipedia.org/wiki/Cefpodoxime" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01416_MESH_D018410_1", + "disease": "Bacterial pneumonia", + "disease_mesh": "MONDO:0004652", + "drug": "cefpodoxime proxetil", + "drug_mesh": "MESH:C053267", + "drugbank": "DB:DB01416" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR012338" + }, + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR037532" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR012338", + "target": "GO:0009252" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR037532", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0071555" + }, + { + "key": "in taxon", + "source": "GO:0071555", + "target": "taxonomy:1392" + }, + { + "key": "in taxon", + "source": "GO:0071555", + "target": "taxonomy:1280" + }, + { + "key": "causes", + "source": "taxonomy:1392", + "target": "MONDO:0004652" + }, + { + "key": "causes", + "source": "taxonomy:1280", + "target": "MONDO:0004652" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C053268" + ], + "id": "MESH:C053267", + "label": "Drug", + "name": "cefpodoxime proxetil" + }, + { + "id": "InterPro:IPR012338", + "label": "GeneFamily", + "name": "Beta-lactamase/transpeptidase-like" + }, + { + "id": "InterPro:IPR037532", + "label": "GeneFamily", + "name": "Peptidoglycan D,D-transpeptidase FtsI" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0071555", + "label": "BiologicalProcess", + "name": "cell wall organization" + }, + { + "id": "taxonomy:1392", + "label": "OrganismTaxon", + "name": "Bacillus anthracis" + }, + { + "id": "taxonomy:1280", + "label": "OrganismTaxon", + "name": "Staphylococcus aureus" + }, + { + "id": "MESH:D018410", + "label": "Disease", + "name": "Bacterial pneumonia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01416#mechanism-of-action", + "https://en.wikipedia.org/wiki/Cefpodoxime", + "https://en.wikipedia.org/wiki/Bacterial_pneumonia#Types" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01416_MESH_D014069_1", + "disease": "Tonsillitis", + "disease_mesh": "MONDO:0001039", + "drug": "cefpodoxime proxetil", + "drug_mesh": "MESH:C053267", + "drugbank": "DB:DB01416" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR012338" + }, + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR037532" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR012338", + "target": "GO:0009252" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR037532", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0071555" + }, + { + "key": "in taxon", + "source": "GO:0071555", + "target": "taxonomy:1314" + }, + { + "key": "causes", + "source": "taxonomy:1314", + "target": "MONDO:0001039" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C053268" + ], + "id": "MESH:C053267", + "label": "Drug", + "name": "cefpodoxime proxetil" + }, + { + "id": "InterPro:IPR012338", + "label": "GeneFamily", + "name": "Beta-lactamase/transpeptidase-like" + }, + { + "id": "InterPro:IPR037532", + "label": "GeneFamily", + "name": "Peptidoglycan D,D-transpeptidase FtsI" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0071555", + "label": "BiologicalProcess", + "name": "cell wall organization" + }, + { + "id": "taxonomy:1314", + "label": "OrganismTaxon", + "name": "Streptococcus pyogenes" + }, + { + "id": "MESH:D014069", + "label": "Disease", + "name": "Tonsillitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01416#mechanism-of-action", + "https://en.wikipedia.org/wiki/Cefpodoxime", + "https://en.wikipedia.org/wiki/Tonsillitis#Causes" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01416_MESH_D010612_1", + "disease": "Pharyngitis", + "disease_mesh": "MONDO:0002258", + "drug": "cefpodoxime proxetil", + "drug_mesh": "MESH:C053267", + "drugbank": "DB:DB01416" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR012338" + }, + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR037532" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR012338", + "target": "GO:0009252" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR037532", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0071555" + }, + { + "key": "in taxon", + "source": "GO:0071555", + "target": "taxonomy:1314" + }, + { + "key": "causes", + "source": "taxonomy:1314", + "target": "MONDO:0002258" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C053268" + ], + "id": "MESH:C053267", + "label": "Drug", + "name": "cefpodoxime proxetil" + }, + { + "id": "InterPro:IPR012338", + "label": "GeneFamily", + "name": "Beta-lactamase/transpeptidase-like" + }, + { + "id": "InterPro:IPR037532", + "label": "GeneFamily", + "name": "Peptidoglycan D,D-transpeptidase FtsI" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0071555", + "label": "BiologicalProcess", + "name": "cell wall organization" + }, + { + "id": "taxonomy:1314", + "label": "OrganismTaxon", + "name": "Streptococcus pyogenes" + }, + { + "id": "MESH:D010612", + "label": "Disease", + "name": "Pharyngitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01416#mechanism-of-action", + "https://en.wikipedia.org/wiki/Cefpodoxime", + "https://en.wikipedia.org/wiki/Pharyngitis#Bacterial" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01416_MESH_D013203_1", + "disease": "Infection due to Staphylococcus aureus", + "disease_mesh": "MONDO:0024313", + "drug": "cefpodoxime proxetil", + "drug_mesh": "MESH:C053267", + "drugbank": "DB:DB01416" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR012338" + }, + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR037532" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR012338", + "target": "GO:0009252" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR037532", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0071555" + }, + { + "key": "in taxon", + "source": "GO:0071555", + "target": "taxonomy:1280" + }, + { + "key": "causes", + "source": "taxonomy:1280", + "target": "MONDO:0024313" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C053268" + ], + "id": "MESH:C053267", + "label": "Drug", + "name": "cefpodoxime proxetil" + }, + { + "id": "InterPro:IPR012338", + "label": "GeneFamily", + "name": "Beta-lactamase/transpeptidase-like" + }, + { + "id": "InterPro:IPR037532", + "label": "GeneFamily", + "name": "Peptidoglycan D,D-transpeptidase FtsI" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0071555", + "label": "BiologicalProcess", + "name": "cell wall organization" + }, + { + "id": "taxonomy:1280", + "label": "OrganismTaxon", + "name": "Staphylococcus aureus" + }, + { + "id": "MESH:D013203", + "label": "Disease", + "name": "Infection due to Staphylococcus aureus" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01416#mechanism-of-action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01416_MESH_D006069_1", + "disease": "Gonorrhea", + "disease_mesh": "MONDO:0004277", + "drug": "cefpodoxime proxetil", + "drug_mesh": "MESH:C053267", + "drugbank": "DB:DB01416" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR012338" + }, + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR037532" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR012338", + "target": "GO:0009252" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR037532", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0071555" + }, + { + "key": "in taxon", + "source": "GO:0071555", + "target": "taxonomy:485" + }, + { + "key": "causes", + "source": "taxonomy:485", + "target": "MONDO:0004277" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C053268" + ], + "id": "MESH:C053267", + "label": "Drug", + "name": "cefpodoxime proxetil" + }, + { + "id": "InterPro:IPR012338", + "label": "GeneFamily", + "name": "Beta-lactamase/transpeptidase-like" + }, + { + "id": "InterPro:IPR037532", + "label": "GeneFamily", + "name": "Peptidoglycan D,D-transpeptidase FtsI" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0071555", + "label": "BiologicalProcess", + "name": "cell wall organization" + }, + { + "id": "taxonomy:485", + "label": "OrganismTaxon", + "name": "Neisseria gonorrhoeae" + }, + { + "id": "MESH:D006069", + "label": "Disease", + "name": "Gonorrhea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01416#mechanism-of-action", + "https://en.wikipedia.org/wiki/Gonorrhea#Cause" + ] + }, + { + "comment": "This disease is denoted as Streptococcus pyogenes infection in the original file but it's named Streptococcal Infections by MESH.", + "directed": true, + "graph": { + "_id": "DB01416_MESH_D013290_1", + "disease": "Streptococcal Infections", + "disease_mesh": "MONDO:0021680", + "drug": "cefpodoxime proxetil", + "drug_mesh": "MESH:C053267", + "drugbank": "DB:DB01416" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR012338" + }, + { + "key": "decreases activity of", + "source": "MESH:C053267", + "target": "InterPro:IPR037532" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR012338", + "target": "GO:0009252" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR037532", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0071555" + }, + { + "key": "in taxon", + "source": "GO:0071555", + "target": "taxonomy:1301" + }, + { + "key": "causes", + "source": "taxonomy:1301", + "target": "MONDO:0021680" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C053268" + ], + "id": "MESH:C053267", + "label": "Drug", + "name": "cefpodoxime proxetil" + }, + { + "id": "InterPro:IPR012338", + "label": "GeneFamily", + "name": "Beta-lactamase/transpeptidase-like" + }, + { + "id": "InterPro:IPR037532", + "label": "GeneFamily", + "name": "Peptidoglycan D,D-transpeptidase FtsI" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0071555", + "label": "BiologicalProcess", + "name": "cell wall organization" + }, + { + "id": "taxonomy:1301", + "label": "OrganismTaxon", + "name": "Streptococcus" + }, + { + "id": "MESH:D013290", + "label": "Disease", + "name": "Streptococcal Infections" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01416#mechanism-of-action" + ] + }, + { + "comment": "The disease is denoted Menopausal flushing in the original file but Hot flashes in MESH. The etiology of hot flashes has yet to be determined (https://pubmed.ncbi.nlm.nih.gov/15065632/).", + "directed": true, + "graph": { + "_id": "DB06710_MESH_D019584_1", + "disease": "Menopausal Flushing", + "disease_mesh": "HP:0031217", + "drug": "methyltestosterone", + "drug_mesh": "CHEBI:27436", + "drugbank": "DB:DB06710" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:27436", + "target": "UniProt:P10275" + }, + { + "key": "precedes", + "source": "CHEBI:27436", + "target": "CHEBI:34179" + }, + { + "key": "increases activity of", + "source": "CHEBI:34179", + "target": "UniProt:P03372" + }, + { + "key": "positively regulates", + "source": "UniProt:P03372", + "target": "GO:0006874" + }, + { + "key": "correlated with", + "source": "UniProt:P10275", + "target": "GO:0097746" + }, + { + "key": "correlated with", + "source": "GO:0097746", + "target": "UMLS:C0042404" + }, + { + "key": "regulates", + "source": "GO:0006874", + "target": "UMLS:C0042404" + }, + { + "key": "positively regulates", + "source": "UMLS:C0042404", + "target": "GO:0001659" + }, + { + "key": "negatively correlated with", + "source": "GO:0001659", + "target": "HP:0005968" + }, + { + "key": "positively correlated with", + "source": "HP:0005968", + "target": "HP:0031217" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008777", + "label": "Drug", + "name": "methyltestosterone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "CHEBI:34179", + "label": "Drug", + "name": "17alpha-Methylestradiol" + }, + { + "id": "UniProt:P03372", + "label": "Protein", + "name": "Estrogen receptor" + }, + { + "id": "MESH:D014666", + "label": "GrossAnatomicalStructure", + "name": "Vasomotor System" + }, + { + "id": "GO:0097746", + "label": "BiologicalProcess", + "name": "blood vessel diameter maintenance" + }, + { + "id": "GO:0006874", + "label": "BiologicalProcess", + "name": "cellular calcium ion homeostasis" + }, + { + "id": "GO:0001659", + "label": "BiologicalProcess", + "name": "temperature homeostasis" + }, + { + "id": "HP:0005968", + "label": "PhenotypicFeature", + "name": "Temperature instability" + }, + { + "id": "MESH:D019584", + "label": "Disease", + "name": "Menopausal Flushing" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06710#mechanism-of-action", + "https://en.wikipedia.org/wiki/Methyltestosterone#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Methylestradiol#Pharmacodynamics", + "https://en.wikipedia.org/wiki/Hot_flash#Mechanism", + "https://academic.oup.com/jcem/article/100/11/3975/2836060" + ] + }, + { + "comment": "MESH:D005058 is named male hypogonadism in the original file.", + "directed": true, + "graph": { + "_id": "DB06710_MESH_D005058_1", + "disease": "Eunuchism", + "disease_mesh": "MONDO:0005758", + "drug": "methyltestosterone", + "drug_mesh": "CHEBI:27436", + "drugbank": "DB:DB06710" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:27436", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0060742" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0048808" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0008584" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0019102" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0007283" + }, + { + "key": "positively correlated with", + "source": "GO:0060742", + "target": "CHEBI:17347" + }, + { + "key": "positively correlated with", + "source": "GO:0048808", + "target": "CHEBI:17347" + }, + { + "key": "positively correlated with", + "source": "GO:0008584", + "target": "CHEBI:17347" + }, + { + "key": "positively correlated with", + "source": "GO:0019102", + "target": "CHEBI:17347" + }, + { + "key": "positively correlated with", + "source": "GO:0007283", + "target": "CHEBI:17347" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:17347", + "target": "MONDO:0005758" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008777", + "label": "Drug", + "name": "methyltestosterone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0060742", + "label": "BiologicalProcess", + "name": "epithelial cell differentiation involved in prostate gland development" + }, + { + "id": "GO:0048808", + "label": "BiologicalProcess", + "name": "male genitalia morphogenesis" + }, + { + "id": "GO:0008584", + "label": "BiologicalProcess", + "name": "male gonad development" + }, + { + "id": "GO:0019102", + "label": "BiologicalProcess", + "name": "male somatic sex determination" + }, + { + "id": "GO:0007283", + "label": "BiologicalProcess", + "name": "spermatogenesis" + }, + { + "id": "CHEBI:17347", + "label": "ChemicalSubstance", + "name": "testosterone" + }, + { + "id": "MESH:D005058", + "label": "Disease", + "name": "Eunuchism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06710#mechanism-of-action", + "https://en.wikipedia.org/wiki/Hypogonadism#Treatment", + "https://en.wikipedia.org/wiki/Hypogonadism#Men" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06710_MESH_D011628_1", + "disease": "Puberty, Delayed", + "disease_mesh": "HP:0000823", + "drug": "methyltestosterone", + "drug_mesh": "CHEBI:27436", + "drugbank": "DB:DB06710" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:27436", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0030518" + }, + { + "key": "positively correlated with", + "source": "GO:0030518", + "target": "GO:0071394" + }, + { + "key": "positively correlated with", + "source": "GO:0030518", + "target": "GO:0071391" + }, + { + "key": "positively correlated with", + "source": "GO:0071394", + "target": "GO:0048808" + }, + { + "key": "positively correlated with", + "source": "GO:0071391", + "target": "GO:0048807" + }, + { + "key": "negatively correlated with", + "source": "GO:0048808", + "target": "HP:0000823" + }, + { + "key": "negatively correlated with", + "source": "GO:0048807", + "target": "HP:0000823" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008777", + "label": "Drug", + "name": "methyltestosterone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0030518", + "label": "BiologicalProcess", + "name": "intracellular steroid hormone receptor signaling pathway" + }, + { + "id": "GO:0071394", + "label": "BiologicalProcess", + "name": "cellular response to testosterone stimulus" + }, + { + "id": "GO:0071391", + "label": "BiologicalProcess", + "name": "cellular response to estrogen stimulus" + }, + { + "id": "GO:0048808", + "label": "BiologicalProcess", + "name": "male genitalia morphogenesis" + }, + { + "id": "GO:0048807", + "label": "BiologicalProcess", + "name": "female genitalia morphogenesis" + }, + { + "id": "MESH:D011628", + "label": "Disease", + "name": "Puberty, Delayed" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06710#mechanism-of-action", + "https://en.wikipedia.org/wiki/Delayed_pubertydrugs/DB06710#mechanism-of-action" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission (https://go.drugbank.com/drugs/DB00555#BE0000013). However this is rather contentious, so it has not been annotated as such in here. Besides if the drug does modulate gamma-aminobutyric acid receptor it's a rather weak inhibition seen in animal models (yet to be determined in humans). Note that the drug could be contraindicated for treatment of seizures as it can exacerbate them (https://pubmed.ncbi.nlm.nih.gov/9596203/). Finally, note that this disease is denoted as Tonic-clonic seizure in the original file but known as Seizures in MESH.", + "directed": true, + "graph": { + "_id": "DB00555_MESH_D012640_1", + "disease": "Seizures", + "disease_mesh": "MONDO:0001386", + "drug": "lamotrigine", + "drug_mesh": "MESH:C047781", + "drugbank": "DB:DB00555" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C047781", + "target": "InterPro:IPR001696" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061530" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061530", + "target": "HP:0020219" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0020219" + }, + { + "key": "positively correlated with", + "source": "HP:0020219", + "target": "MONDO:0001386" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047781", + "label": "Drug", + "name": "lamotrigine" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "GO:0061530", + "label": "BiologicalProcess", + "name": "aspartate secretion, neurotransmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0020219", + "label": "PhenotypicFeature", + "name": "Motor seizure" + }, + { + "id": "MESH:D012640", + "label": "Disease", + "name": "Seizures" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00555#mechanism-of-action", + "https://en.wikipedia.org/wiki/Lamotrigine#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Glutamate_(neurotransmitter)#Disease,_disabilities,_and_pharmacology" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission (https://go.drugbank.com/drugs/DB00555#BE0000013). However this is rather contentious, so it has not been annotated as such in here. Besides if the drug does inhibit gamma-aminobutyric acid receptor it's a rather weak inhibition seen in animal models (yet to be determined in humans). Note that the drug could be contraindicated for treatment of seizures as it can exacerbate them, specially the myoclonic type (https://pubmed.ncbi.nlm.nih.gov/9596203/). Finally, this disease is denoted as Tonic-clonic seizure in the original file but known as Seizures in MESH.", + "directed": true, + "graph": { + "_id": "DB00555_MESH_D012640_2", + "disease": "Seizures", + "disease_mesh": "MONDO:0001386", + "drug": "lamotrigine", + "drug_mesh": "MESH:C047781", + "drugbank": "DB:DB00555" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C047781", + "target": "UniProt:Q15878" + }, + { + "key": "participates in", + "source": "UniProt:Q15878", + "target": "reactome:R-HSA-112308" + }, + { + "key": "participates in", + "source": "UniProt:Q15878", + "target": "reactome:R-HSA-112308" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-112308", + "target": "GO:0007268" + }, + { + "key": "positively correlated with", + "source": "GO:0007268", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0020219" + }, + { + "key": "positively correlated with", + "source": "HP:0020219", + "target": "MONDO:0001386" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047781", + "label": "Drug", + "name": "lamotrigine" + }, + { + "id": "UniProt:Q15878", + "label": "Protein", + "name": "Voltage-dependent R-type calcium channel subunit alpha-1E" + }, + { + "id": "reactome:R-HSA-112308", + "label": "Pathway", + "name": "Presynaptic depolarization and calcium channel opening" + }, + { + "id": "GO:0007268", + "label": "BiologicalProcess", + "name": "chemical synaptic transmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0020219", + "label": "PhenotypicFeature", + "name": "Motor seizure" + }, + { + "id": "MESH:D012640", + "label": "Disease", + "name": "Seizures" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00555#BE0009609", + "https://en.wikipedia.org/wiki/Lamotrigine#Mechanism_of_action", + "https://pubmed.ncbi.nlm.nih.gov/10530688/", + "https://pubmed.ncbi.nlm.nih.gov/9579933/", + "https://en.wikipedia.org/wiki/Anticonvulsant", + "https://en.wikipedia.org/wiki/Neuroprotection" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission as listed by DrugBank (https://go.drugbank.com/drugs/DB00555#BE0000013). However, this is contentious and if the drug does modulate GABA it's not known whether it is as agonist or antagonist due to conflicting data (at best it would be a weak modulation seen in animal models only). Note that the drug could be contraindicated for treatment of seizures as it can exacerbate them, specially the myoclonic type (https://pubmed.ncbi.nlm.nih.gov/9596203/). Finally, this disease is denoted as Simple partial seizure in the original file but known as Epilepsies, Partial in MESH.", + "directed": true, + "graph": { + "_id": "DB00555_MESH_D004828_1", + "disease": "Epilepsies, Partial", + "disease_mesh": "MONDO:0005384", + "drug": "lamotrigine", + "drug_mesh": "MESH:C047781", + "drugbank": "DB:DB00555" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C047781", + "target": "InterPro:IPR001696" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061530" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061530", + "target": "HP:0032843" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0032843" + }, + { + "key": "positively correlated with", + "source": "HP:0032843", + "target": "MONDO:0005384" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047781", + "label": "Drug", + "name": "lamotrigine" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "GO:0061530", + "label": "BiologicalProcess", + "name": "aspartate secretion, neurotransmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0032843", + "label": "PhenotypicFeature", + "name": "Focal-onset epileptic spasm" + }, + { + "id": "MESH:D004828", + "label": "Disease", + "name": "Epilepsies, Partial" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00555#mechanism-of-action", + "https://en.wikipedia.org/wiki/Lamotrigine#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Glutamate_(neurotransmitter)#Disease,_disabilities,_and_pharmacology", + "https://en.wikipedia.org/wiki/Focal_seizure" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission as listed by DrugBank (https://go.drugbank.com/drugs/DB00555#BE0000013). However, this is contentious and if the drug does modulate GABA it's not known whether it is as agonist or antagonist due to conflicting data (at best it would be a weak modulation seen in animal models only). Note that the drug could be contraindicated for treatment of seizures as it can exacerbate them, specially the myoclonic type (https://pubmed.ncbi.nlm.nih.gov/9596203/). Finally, this disease is denoted as Simple partial seizure in the original file but known as Epilepsies, Partial in MESH.", + "directed": true, + "graph": { + "_id": "DB00555_MESH_D004828_2", + "disease": "Epilepsies, Partial", + "disease_mesh": "MONDO:0005384", + "drug": "lamotrigine", + "drug_mesh": "MESH:C047781", + "drugbank": "DB:DB00555" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C047781", + "target": "UniProt:Q15878" + }, + { + "key": "participates in", + "source": "UniProt:Q15878", + "target": "reactome:R-HSA-112308" + }, + { + "key": "participates in", + "source": "UniProt:Q15878", + "target": "reactome:R-HSA-112308" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-112308", + "target": "GO:0007268" + }, + { + "key": "positively correlated with", + "source": "GO:0007268", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0032843" + }, + { + "key": "positively correlated with", + "source": "HP:0032843", + "target": "MONDO:0005384" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047781", + "label": "Drug", + "name": "lamotrigine" + }, + { + "id": "UniProt:Q15878", + "label": "Protein", + "name": "Voltage-dependent R-type calcium channel subunit alpha-1E" + }, + { + "id": "reactome:R-HSA-112308", + "label": "Pathway", + "name": "Presynaptic depolarization and calcium channel opening" + }, + { + "id": "GO:0007268", + "label": "BiologicalProcess", + "name": "chemical synaptic transmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0032843", + "label": "PhenotypicFeature", + "name": "Focal-onset epileptic spasm" + }, + { + "id": "MESH:D004828", + "label": "Disease", + "name": "Epilepsies, Partial" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00555#BE0009609", + "https://en.wikipedia.org/wiki/Lamotrigine#Mechanism_of_action", + "https://pubmed.ncbi.nlm.nih.gov/10530688/", + "https://pubmed.ncbi.nlm.nih.gov/9579933/", + "https://en.wikipedia.org/wiki/Anticonvulsant", + "https://en.wikipedia.org/wiki/Neuroprotection" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission as listed by DrugBank (https://go.drugbank.com/drugs/DB00555#BE0000013). However, this is contentious and if the drug does modulate GABA it's not known whether it is as agonist or antagonist due to conflicting data (at best it would be a weak modulation seen in animal models only). Note that the drug could be contraindicated for treatment of seizures as it can exacerbate them, specially the myoclonic type (https://pubmed.ncbi.nlm.nih.gov/9596203/).", + "directed": true, + "graph": { + "_id": "DB00555_MESH_D065768_1", + "disease": "Lennox-Gastaut syndrome", + "disease_mesh": "MONDO:0016532", + "drug": "lamotrigine", + "drug_mesh": "MESH:C047781", + "drugbank": "DB:DB00555" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C047781", + "target": "InterPro:IPR001696" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061530" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061530", + "target": "HP:0032792" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0032792" + }, + { + "key": "positively correlated with", + "source": "HP:0032792", + "target": "MONDO:0016532" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047781", + "label": "Drug", + "name": "lamotrigine" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "GO:0061530", + "label": "BiologicalProcess", + "name": "aspartate secretion, neurotransmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0032792", + "label": "PhenotypicFeature", + "name": "Tonic seizure" + }, + { + "id": "MESH:D065768", + "label": "Disease", + "name": "Lennox-Gastaut syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00555#mechanism-of-action", + "https://en.wikipedia.org/wiki/Lamotrigine#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Lennox%E2%80%93Gastaut_syndrome#Signs_and_symptoms", + "https://en.wikipedia.org/wiki/Glutamate_(neurotransmitter)#Disease,_disabilities,_and_pharmacology" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission as listed by DrugBank (https://go.drugbank.com/drugs/DB00555#BE0000013). However, this is contentious and if the drug does modulate GABA it's not known whether it is as agonist or antagonist due to conflicting data (at best it would be a weak modulation seen in animal models only). Note that the drug could be contraindicated for treatment of seizures as it can exacerbate them, specially the myoclonic type (https://pubmed.ncbi.nlm.nih.gov/9596203/).", + "directed": true, + "graph": { + "_id": "DB00555_MESH_D065768_2", + "disease": "Lennox-Gastaut syndrome", + "disease_mesh": "MONDO:0016532", + "drug": "lamotrigine", + "drug_mesh": "MESH:C047781", + "drugbank": "DB:DB00555" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C047781", + "target": "UniProt:Q15878" + }, + { + "key": "participates in", + "source": "UniProt:Q15878", + "target": "reactome:R-HSA-112308" + }, + { + "key": "participates in", + "source": "UniProt:Q15878", + "target": "reactome:R-HSA-112308" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-112308", + "target": "GO:0007268" + }, + { + "key": "positively correlated with", + "source": "GO:0007268", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0032792" + }, + { + "key": "positively correlated with", + "source": "HP:0032792", + "target": "MONDO:0016532" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047781", + "label": "Drug", + "name": "lamotrigine" + }, + { + "id": "UniProt:Q15878", + "label": "Protein", + "name": "Voltage-dependent R-type calcium channel subunit alpha-1E" + }, + { + "id": "reactome:R-HSA-112308", + "label": "Pathway", + "name": "Presynaptic depolarization and calcium channel opening" + }, + { + "id": "GO:0007268", + "label": "BiologicalProcess", + "name": "chemical synaptic transmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0032792", + "label": "PhenotypicFeature", + "name": "Tonic seizure" + }, + { + "id": "MESH:D065768", + "label": "Disease", + "name": "Lennox-Gastaut syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00555#BE0009609", + "https://en.wikipedia.org/wiki/Lamotrigine#Mechanism_of_action", + "https://pubmed.ncbi.nlm.nih.gov/10530688/", + "https://pubmed.ncbi.nlm.nih.gov/9579933/", + "https://en.wikipedia.org/wiki/Anticonvulsant", + "https://en.wikipedia.org/wiki/Neuroprotection" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission as listed by DrugBank (https://go.drugbank.com/drugs/DB00555#BE0000013). However, this is contentious and if the drug does modulate GABA it's not known whether it is as agonist or antagonist due to conflicting data (at best it would be a weak modulation seen in animal models only). Note that the drug could be contraindicated for treatment of seizures as it can exacerbate them, specially the myoclonic type (https://pubmed.ncbi.nlm.nih.gov/9596203/).", + "directed": true, + "graph": { + "_id": "DB00555_MESH_D004827_1", + "disease": "Epilepsy", + "disease_mesh": "MONDO:0005027", + "drug": "lamotrigine", + "drug_mesh": "MESH:C047781", + "drugbank": "DB:DB00555" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C047781", + "target": "InterPro:IPR001696" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061530" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061530", + "target": "HP:0020219" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0020219" + }, + { + "key": "positively correlated with", + "source": "HP:0020219", + "target": "MONDO:0005027" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C047781", + "label": "Drug", + "name": "lamotrigine" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "GO:0061530", + "label": "BiologicalProcess", + "name": "aspartate secretion, neurotransmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0020219", + "label": "PhenotypicFeature", + "name": "Motor seizure" + }, + { + "id": "MESH:D004827", + "label": "Disease", + "name": "Epilepsy" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00555#mechanism-of-action", + "https://en.wikipedia.org/wiki/Lamotrigine#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Lennox%E2%80%93Gastaut_syndrome#Signs_and_symptoms", + "https://en.wikipedia.org/wiki/Glutamate_(neurotransmitter)#Disease,_disabilities,_and_pharmacology" + ] + }, + { + "comment": "This drug may also affect GABA-mediated synaptic transmission as listed by DrugBank (https://go.drugbank.com/drugs/DB00555#BE0000013). However, this is contentious and if the drug does modulate GABA it's not known whether it is as agonist or antagonist due to conflicting data (at best it would be a weak modulation seen in animal models only). 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"Drug", + "name": "ibrutinib" + }, + { + "id": "UniProt:Q06187", + "label": "Protein", + "name": "Tyrosine-protein kinase BTK" + }, + { + "id": "GO:0050853", + "label": "BiologicalProcess", + "name": "B cell receptor signaling pathway" + }, + { + "id": "GO:0002368", + "label": "BiologicalProcess", + "name": "B cell cytokine production" + }, + { + "id": "GO:0060326", + "label": "BiologicalProcess", + "name": "cell chemotaxis" + }, + { + "id": "GO:0006915", + "label": "BiologicalProcess", + "name": "apoptotic process" + }, + { + "id": "MESH:D015451", + "label": "Disease", + "name": "Chronic lymphoid leukemia, disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09053#mechanism-of-action", + "https://en.wikipedia.org/wiki/Ibrutinib#Mechanism", + "https://en.wikipedia.org/wiki/Ibrutinib#Medical_uses", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4632638/" + ] + }, + { + "comments": "Many other members of the sodium channel protein alpha unit family (MESH:D061566 or CHEMBL:2331043) could also be targets for this drug, presumably through the same MoA, according to ChEMBL (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201754/) and Pharos (https://pharos.nih.gov/ligands/rufinamide).", + "directed": true, + "graph": { + "_id": "DB06201_MESH_D065768_1", + "disease": "Lennox-Gastaut syndrome", + "disease_mesh": "MONDO:0016532", + "drug": "rufinamide", + "drug_mesh": "CHEBI:134966", + "drugbank": "DB:DB06201" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:134966", + "target": "UniProt:Q15858" + }, + { + "key": "positively regulates", + "source": "UniProt:Q15858", + "target": "GO:0019228" + }, + { + "key": "positively correlated with", + "source": "GO:0019228", + "target": "GO:0007269" + }, + { + "key": "positively correlated with", + "source": "GO:0007269", + "target": "HP:0032792" + }, + { + "key": "positively correlated with", + "source": "HP:0032792", + "target": "MONDO:0016532" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C079703", + "label": "Drug", + "name": "rufinamide" + }, + { + "id": "UniProt:Q15858", + "label": "Protein", + "name": "Sodium channel protein type 9 subunit alpha" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "GO:0007269", + "label": "BiologicalProcess", + "name": "neurotransmitter secretion" + }, + { + "id": "HP:0032792", + "label": "PhenotypicFeature", + "name": "Tonic seizure" + }, + { + "id": "MESH:D065768", + "label": "Disease", + "name": "Lennox-Gastaut syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06201#mechanism-of-action", + "https://en.wikipedia.org/wiki/Rufinamide", + "https://pubmed.ncbi.nlm.nih.gov/30391662/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7461817/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7461817/", + "https://en.wikipedia.org/wiki/Lennox%E2%80%93Gastaut_syndrome#Seizures" + ] + }, + { + "comments": "The drug will inhibit the glutamate receptor only at high concentration (https://pubchem.ncbi.nlm.nih.gov/compound/129228#section=Pharmacology-and-Biochemistry).", + "directed": true, + "graph": { + "_id": "DB06201_MESH_D065768_2", + "disease": "Lennox-Gastaut syndrome", + "disease_mesh": "MONDO:0016532", + "drug": "rufinamide", + "drug_mesh": "CHEBI:134966", + "drugbank": "DB:DB06201" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:134966", + "target": "UniProt:P41594" + }, + { + "key": "positively correlated with", + "source": "UniProt:P41594", + "target": "GO:0099530" + }, + { + "key": "positively correlated with", + "source": "GO:0099530", + "target": "GO:0035249" + }, + { + "key": "positively correlated with", + "source": "GO:0035249", + "target": "HP:0032792" + }, + { + "key": "positively correlated with", + "source": "HP:0032792", + "target": "MONDO:0016532" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C079703", + "label": "Drug", + "name": "rufinamide" + }, + { + "id": "UniProt:P41594", + "label": "Protein", + "name": "Metabotropic glutamate receptor 5" + }, + { + "id": "GO:0099530", + "label": "MolecularActivity", + "name": "G protein-coupled receptor activity involved in regulation of postsynaptic membrane potential" + }, + { + "id": "GO:0035249", + "label": "BiologicalProcess", + "name": "synaptic transmission, glutamatergic" + }, + { + "id": "HP:0032792", + "label": "PhenotypicFeature", + "name": "Tonic seizure" + }, + { + "id": "MESH:D065768", + "label": "Disease", + "name": "Lennox-Gastaut syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06201#mechanism-of-action", + "https://en.wikipedia.org/wiki/Rufinamide", + "https://pubmed.ncbi.nlm.nih.gov/30391662/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7461817/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7461817/", + "https://en.wikipedia.org/wiki/Lennox%E2%80%93Gastaut_syndrome#Seizures" + ] + }, + { + "comment": "This drug seems to have mixed effects in the dopamine, serotonin, and noradrenaline systems (https://pubmed.ncbi.nlm.nih.gov/2869188/), suggesting it can compensate for deficits in disease and in aging while preventing the pathological effects that result from excessive activity in these systems in normal individuals. This drug is contraindicated in patients who have psychosis, acute or chronic (https://en.wikipedia.org/wiki/Ergoloid#Contraindications).", + "directed": true, + "graph": { + "_id": "DB01049_MESH_D003704_1", + "disease": "Dementia", + "disease_mesh": "MONDO:0001627", + "drug": "Ergoloid mesylates", + "drug_mesh": "PUBCHEM.COMPOUND:71717894", + "drugbank": "DB:DB01049" + }, + "links": [ + { + "key": "positively regulates", + "source": "PUBCHEM.COMPOUND:71717894", + "target": "InterPro:IPR000929" + }, + { + "key": "positively regulates", + "source": "PUBCHEM.COMPOUND:71717894", + "target": "InterPro:IPR002231" + }, + { + "key": "negatively regulates", + "source": "PUBCHEM.COMPOUND:71717894", + "target": "InterPro:IPR002233" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR000929", + "target": "GO:0001963" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR002231", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR002231", + "target": "GO:0001963" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR002231", + "target": "GO:0035249" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR002231", + "target": "GO:0051932" + }, + { + "key": "negatively correlated with", + "source": "GO:0007271", + "target": "HP:0001268" + }, + { + "key": "negatively correlated with", + "source": "GO:0035249", + "target": "HP:0001268" + }, + { + "key": "negatively correlated with", + "source": "GO:0051932", + "target": "HP:0001268" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR002233", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "MONDO:0001152" + }, + { + "key": "manifestation of", + "source": "MONDO:0001152", + "target": "MONDO:0001627" + }, + { + "key": "negatively correlated with", + "source": "GO:0001963", + "target": "HP:0001268" + }, + { + "key": "manifestation of", + "source": "HP:0001268", + "target": "MONDO:0001627" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004877", + "label": "Drug", + "name": "Ergoloid mesylates" + }, + { + "id": "InterPro:IPR000929", + "label": "GeneFamily", + "name": "Dopamine receptor family" + }, + { + "id": "InterPro:IPR002233", + "label": "GeneFamily", + "name": "Adrenoceptor family" + }, + { + "id": "InterPro:IPR002231", + "label": "GeneFamily", + "name": "5-hydroxytryptamine receptor family" + }, + { + "id": "GO:0001963", + "label": "BiologicalProcess", + "name": "synaptic transmission, dopaminergic" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "GO:0035249", + "label": "BiologicalProcess", + "name": "synaptic transmission, glutamatergic" + }, + { + "id": "GO:0051932", + "label": "BiologicalProcess", + "name": "synaptic transmission, GABAergic" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0002354", + "label": "PhenotypicFeature", + "name": "Memory impairment" + }, + { + "id": "HP:0001268", + "label": "PhenotypicFeature", + "name": "Mental deterioration" + }, + { + "id": "MESH:D003704", + "label": "Disease", + "name": "Dementia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01049#mechanism-of-action", + "https://en.wikipedia.org/wiki/Ergoloid#Mechanism_of_action", + "https://selfhacked.com/blog/hydergine/#Mechanism_of_Action", + "https://en.wikipedia.org/wiki/5-HT_receptor" + ] + }, + { + "comments": "This drug could potentially modulate UniProt:P43115 as it has little selectivity. However, the action upon activing this target would be vasoconstriction, which would be contraindicated in Pulmonary arterial hypertension. This could explain the hypertension adverse event reported in https://www.targetvalidation.org/summary?drug=CHEMBL494. DrugBank has the phosphodiesterase gene family as possible targets for this drug but this is based on experiments where Iloprost was used in combination with phosphodiesterase inhibitors. So, Iloprost on its own does not modulate phosphodiesterases.", + "directed": true, + "graph": { + "_id": "DB01088_MESH_D000081029_1", + "disease": "Pulmonary arterial hypertension", + "disease_mesh": "MONDO:0015924", + "drug": "iloprost", + "drug_mesh": "CHEBI:63916", + "drugbank": "DB:DB01088" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:63916", + "target": "UniProt:P43119" + }, + { + "key": "increases activity of", + "source": "CHEBI:63916", + "target": "UniProt:P34995" + }, + { + "key": "increases activity of", + "source": "CHEBI:63916", + "target": "UniProt:P43116" + }, + { + "key": "increases activity of", + "source": "CHEBI:63916", + "target": "UniProt:P35408" + }, + { + "key": "increases activity of", + "source": "CHEBI:63916", + "target": "UniProt:Q9Y5Y4" + }, + { + "key": "decreases abundance of", + "source": "UniProt:P34995", + "target": "CHEBI:22984" + }, + { + "key": "decreases abundance of", + "source": "UniProt:P43116", + "target": 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"Prostaglandin E2 receptor EP2 subtype" + }, + { + "id": "UniProt:P35408", + "label": "Protein", + "name": "Prostaglandin E2 receptor EP4 subtype" + }, + { + "id": "UniProt:Q9Y5Y4", + "label": "Protein", + "name": "Prostaglandin D2 receptor 2" + }, + { + "id": "MESH:D002118", + "label": "ChemicalSubstance", + "name": "Calcium" + }, + { + "id": "GO:0044557", + "label": "BiologicalProcess", + "name": "relaxation of smooth muscle" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D000081029", + "label": "Disease", + "name": "Pulmonary arterial hypertension" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01088#BE0000475", + "https://en.wikipedia.org/wiki/Iloprost#Clinical_pharmacology", + "https://en.wikipedia.org/wiki/Vasodilation#Examples_and_individual_mechanisms", + "https://en.wikipedia.org/wiki/Prostacyclin#Mechanism", + "https://en.wikipedia.org/wiki/Prostaglandin_EP3_receptor#Therapeutics" + ] + }, + { + "comment": "the exact mechanism by which anagrelide lowers platelet count is unclear", + "directed": true, + "graph": { + "_id": "DB00261_MESH_D013920_1", + "disease": "Essential thrombocythemia", + "disease_mesh": "MONDO:0005029", + "drug": "Anagrelide", + "drug_mesh": "CHEBI:142290", + "drugbank": "DB:DB00261" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:142290", + "target": "GO:0035855" + }, + { + "key": "positively correlated with", + "source": "GO:0035855", + "target": "GO:0030220" + }, + { + "key": "positively correlated with", + "source": "GO:0030220", + "target": "MONDO:0002249" + }, + { + "key": "manifestation of", + "source": "MONDO:0002249", + "target": "MONDO:0005029" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C021139", + "label": "Drug", + "name": "Anagrelid" + }, + { + "id": "GO:0035855", + "label": "BiologicalProcess", + "name": "Megakaryocyte development" + }, + { + "id": "GO:0030220", + "label": "BiologicalProcess", + "name": "Platelet formation" + }, + { + "id": "HP:0001894", + "label": "PhenotypicFeature", + "name": "Thrombocytosis" + }, + { + "id": "MESH:D013920", + "label": "Disease", + "name": "Essential thrombocythemia" + } + ], + "reference": [ + "https://pubmed.ncbi.nlm.nih.gov/12487784/", + "https://go.drugbank.com/drugs/DB00261#BE0000436", + "https://en.wikipedia.org/wiki/Essential_thrombocythemia" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00309_MESH_D008545_1", + "disease": "Malignant melanoma", + "disease_mesh": "MONDO:0005105", + "drug": "Vindesine", + "drug_mesh": "CHEBI:36373", + "drugbank": "DB:DB00309" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:36373", + "target": "UniProt:Q9H4B7" + }, + { + "key": "part of", + "source": "UniProt:Q9H4B7", + "target": "GO:1902850" + }, + { + "key": "positively regulates", + "source": "GO:1902850", + "target": "GO:0140014" + }, + { + "key": "positively correlated with", + "source": "GO:0140014", + "target": "GO:0097325" + }, + { + "key": "positively correlated with", + "source": "GO:0097325", + "target": "MONDO:0005105" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014751", + "label": "Drug", + "name": "Vindesine" + }, + { + "id": "UniProt:Q9H4B7", + "label": "Protein", + "name": "Tubulin beta-1 chain" + }, + { + "id": "GO:1902850", + "label": "BiologicalProcess", + "name": "Microtubule cytoskeleton organization involved in mitosis" + }, + { + "id": "GO:0140014", + "label": "BiologicalProcess", + "name": "Mitotic nuclear division" + }, + { + "id": "GO:0097325", + "label": "BiologicalProcess", + "name": "Melanocyte proliferation" + }, + { + "id": "MESH:D008545", + "label": "Disease", + "name": "Malignant melanoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00309", + "https://en.wikipedia.org/wiki/Melanoma" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00309_MESH_D008175_1", + "disease": "Lung Neoplasms", + "disease_mesh": "MONDO:0021117", + "drug": "Vindesine", + "drug_mesh": "CHEBI:36373", + "drugbank": "DB:DB00309" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:36373", + "target": "UniProt:Q9H4B7" + }, + { + "key": "part of", + "source": "UniProt:Q9H4B7", + "target": "GO:1902850" + }, + { + "key": "positively regulates", + "source": "GO:1902850", + "target": "GO:0140014" + }, + { + "key": "positively correlated with", + "source": "GO:0140014", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MONDO:0021117" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014751", + "label": "Drug", + "name": "Vindesine" + }, + { + "id": "UniProt:Q9H4B7", + "label": "Protein", + "name": "Tubulin beta-1 chain" + }, + { + "id": "GO:1902850", + "label": "BiologicalProcess", + "name": "Microtubule cytoskeleton organization involved in mitosis" + }, + { + "id": "GO:0140014", + "label": "BiologicalProcess", + "name": 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"MONDO:0011996" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014751", + "label": "Drug", + "name": "Vindesine" + }, + { + "id": "UniProt:Q9H4B7", + "label": "Protein", + "name": "Tubulin beta-1 chain" + }, + { + "id": "GO:1902850", + "label": "BiologicalProcess", + "name": "Microtubule cytoskeleton organization involved in mitosis" + }, + { + "id": "GO:0140014", + "label": "BiologicalProcess", + "name": "Mitotic nuclear division" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "Cell population proliferation" + }, + { + "id": "MESH:D015464", + "label": "Disease", + "name": "Chronic myeloid leukemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00309" + ] + }, + { + "comment": "Capreomycin is a member of the aminoglycoside family of antibiotics, but little is known about capreomycin's exact mechanism of action. 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presumed to have adrenocortical insufficiency. Please note tetracosactide does not significantly increase plasma cortisol concentration in patients with primary or secondary adrenocortical insufficiency.", + "directed": true, + "graph": { + "_id": "DB01284_MESH_D000309_1", + "disease": "Adrenal cortical hypofunction", + "disease_mesh": "MONDO:0000004", + "drug": "Tetracosactide", + "drug_mesh": "CHEBI:3901", + "drugbank": "DB:DB01284" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:3901", + "target": "UniProt:Q01718" + }, + { + "key": "positively regulates", + "source": "UniProt:Q01718", + "target": "reactome:R-HSA-170660" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-170660", + "target": "GO:0006694" + }, + { + "key": "increases abundance of", + "source": "GO:0006694", + "target": "MESH:D000305" + }, + { + "key": "negatively correlated with", + "source": "MESH:D000305", + "target": "MONDO:0000004" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003366", + "label": "Drug", + "name": "Tetracosactide" + }, + { + "id": "UniProt:Q01718", + "label": "Protein", + "name": "Adrenocorticotropic hormone receptor" + }, + { + "id": "reactome:R-HSA-170660", + "label": "Pathway", + "name": "Adenylate cyclase activating pathway" + }, + { + "id": "GO:0006694", + "label": "BiologicalProcess", + "name": "Steroid biosynthetic process" + }, + { + "id": "MESH:D000305", + "label": "ChemicalSubstance", + "name": "Adrenal Cortex Hormones" + }, + { + "id": "MESH:D000309", + "label": "Disease", + "name": "Adrenal cortical hypofunction" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01284#BE0000848", + "https://en.wikipedia.org/wiki/Adrenocorticotropic_hormone#Function", + "https://en.wikipedia.org/wiki/ACTH_stimulation_test" + ] + }, + { + "comment": "Illicit, Withdrawn. Please note that amineptine selectively inhibits the reuptake of dopamine and to a lesser extent norepinephrine.", + "directed": true, + "graph": { + "_id": "DB04836_MESH_D003866_1", + "disease": "Depressive disorder", + "disease_mesh": "MONDO:0002050", + "drug": "Amineptine", + "drug_mesh": "CHEBI:32499", + "drugbank": "DB:DB04836" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:32499", + "target": "UniProt:P23975" + }, + { + "key": "decreases activity of", + "source": "CHEBI:32499", + "target": "UniProt:Q01959" + }, + { + "key": "positively regulates", + "source": "CHEBI:32499", + "target": "GO:0061527" + }, + { + "key": "participates in", + "source": "UniProt:P23975", + "target": "GO:0051620" + }, + { + "key": "participates in", + "source": "UniProt:Q01959", + "target": "GO:0051583" + }, + { + "key": "decreases abundance of", + "source": "GO:0051620", + "target": "CHEBI:18357" + }, + { + "key": "decreases abundance of", + "source": "GO:0051583", + 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Although DrugBank states that Peginterferon beta-1a is an Interferon alpha/beta receptor 1 downregulator, there is an evidence in the literature showing that Peginterferon beta-1a is in fact Interferon alpha/beta receptor 1 activator https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4303928/", + "directed": true, + "graph": { + "_id": "DB09122_MESH_D020529_1", + "disease": "Relapsing remitting multiple sclerosis", + "disease_mesh": "MONDO:0005314", + "drug": "Peginterferon beta-1a", + "drug_mesh": "UNII:I8309403R0", + "drugbank": "DB:DB09122" + }, + "links": [ + { + "key": "increases activity of", + "source": "UNII:I8309403R0", + "target": "UniProt:P17181" + }, + { + "key": "negatively regulates", + "source": "UniProt:P17181", + "target": "GO:0006954" + }, + { + "key": "negatively regulates", + "source": "UniProt:P17181", + "target": "GO:0042100" + }, + { + "key": "negatively regulates", + "source": "UniProt:P17181", + "target": "GO:0050798" + }, + { + "key": "negatively regulates", + 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+ "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09477#BE0000221" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09477_MESH_D006333_1", + "disease": "Congestive heart failure", + "disease_mesh": "MONDO:0005252", + "drug": "Enalaprilat", + "drug_mesh": "PUBCHEM.COMPOUND:6917719", + "drugbank": "DB:DB09477" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:6917719", + "target": "UniProt:P12821" + }, + { + "key": "increases abundance of", + "source": "UniProt:P12821", + "target": "CHEBI:2719" + }, + { + "key": "causes", + "source": "CHEBI:2719", + "target": "GO:0070294" + }, + { + "key": "causes", + "source": "CHEBI:2719", + "target": "MESH:D014661" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0045777" + }, + { + "key": "affects risk for", + "source": "GO:0045777", + "target": "MONDO:0005044" + }, + { + "key": "contributes to", + "source": "MESH:D014661", + "target": "MONDO:0005044" + }, + { + "key": "affects risk for", + "source": "MONDO:0005044", + "target": "MONDO:0005252" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015773", + "label": "Drug", + "name": "Enalaprilat" + }, + { + "id": "UniProt:P12821", + "label": "Protein", + "name": "Angiotensin-converting enzyme" + }, + { + "id": "MESH:D000804", + "label": "ChemicalSubstance", + "name": "Angiotensin II" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "Renal sodium ion absorption" + }, + { + "id": "GO:0045777", + "label": "BiologicalProcess", + "name": "Positive regulation of blood pressure" + }, + { + "id": "MESH:D014661", + "label": "Disease", + "name": "Vasoconstriction" + }, + { + "id": "HP:0000822", + "label": "PhenotypicFeature", + "name": "Hypertension" + }, + { + "id": "MESH:D006333", + "label": "Disease", + "name": "Congestive heart failure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09477#BE0000221", + "https://en.wikipedia.org/wiki/Heart_failure" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB02701_MESH_D010383_1", + "disease": "Pellagra", + "disease_mesh": "MONDO:0019975", + "drug": "nicotinamide", + "drug_mesh": "CHEBI:17154", + "drugbank": "DB:DB02701" + }, + "links": [ + { + "key": "correlated with", + "source": "CHEBI:17154", + "target": "CHEBI:15940" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:15940", + "target": "MONDO:0019975" + }, + { + "key": "positively correlated with", + "source": "MONDO:0019975", + "target": "MONDO:0019975" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009536", + "label": "Drug", + "name": "nicotinamide" + }, + { + "id": "CHEBI:15940", + "label": "ChemicalSubstance", + "name": "nicotinic acid" + }, + { + "id": "HP:0100497", + "label": "PhenotypicFeature", + "name": "Vitamin B3 deficiency" + }, + { + "id": "MESH:D010383", + "label": "Disease", + "name": "Pellagra" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Nicotinamide", + "https://en.wikipedia.org/wiki/Pellagra#Treatment" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB02701_MESH_D000152_1", + "disease": "Acne vulgaris", + "disease_mesh": "MONDO:0011438", + "drug": "nicotinamide", + "drug_mesh": "CHEBI:17154", + "drugbank": "DB:DB02701" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:17154", + "target": "reactome:R-HSA-181438" + }, + { + "key": "part of", + "source": "reactome:R-HSA-181438", + "target": "GO:0006954" + }, + { + "key": "caused by", + "source": "GO:0006954", + "target": "taxonomy:1747" + }, + { + "key": "positively correlated with", + "source": "taxonomy:1747", + "target": "MONDO:0011438" + }, + { + "key": "decreases abundance of", + "source": "CHEBI:17154", + "target": "UBERON:0001866" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001866", + "target": "HP:0025249" + }, + { + "key": "positively correlated with", + "source": "HP:0025249", + "target": "MONDO:0011438" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009536", + "label": "Drug", + "name": "nicotinamide" + }, + { + "id": "UBERON:0001866", + "label": "GrossAnatomicalStructure", + "name": "sebum" + }, + { + "id": "HP:0025249", + "label": "PhenotypicFeature", + "name": "Comedo" + }, + { + "id": "reactome:R-HSA-181438", + "label": "Pathway", + "name": "Toll Like Receptor 2 (TLR2) Cascade" + }, + { + "id": "taxonomy:1747", + "label": "OrganismTaxon", + "name": "Cutibacterium acnes" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Nicotinamide#Acne" + ] + }, + { + "comment": "Muscarinic receptor antagonists (also known as anticholinergics) seem to be used in patients with Schizophrenia to alleviate motor side effects caused by first-generation antipsychotics. However these antagonists do seem to lead to cognitive dysfunction in healthy controls. So whether these muscarinic receptors should be positively or negatively regulated in schizophrenia is a matter of debate (see https://www.nature.com/articles/4001924 https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3726271/). In addition, some suggest that that schizophrenia involves an overactivation of cholinergic neurons, which could provide cholinergic input to dopaminergic neurons. The dopamine neurons are located in the mesolimbic dopaminergic system (BTO:0005591), which is a component pathway of the medial forebrain bundle (UBERON:0001910). See https://en.wikipedia.org/wiki/Medial_forebrain_bundle#Anatomy for more details.", + "directed": true, + "graph": { + "_id": "DB01239_MESH_D012559_1", + "disease": "Schizophrenia", + "disease_mesh": "MONDO:0005090", + "drug": "chlorprothixene", + "drug_mesh": "CHEBI:50932", + "drugbank": "DB:DB01239" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:50932", + "target": "InterPro:IPR000995" + }, + { + "key": "decreases activity of", + "source": "CHEBI:50932", + "target": "InterPro:IPR000929" + }, + { + "key": "decreases activity of", + "source": "CHEBI:50932", + "target": "InterPro:IPR002231" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR000995", + "target": "GO:0007274" + }, + { + "key": "positively correlated with", + "source": "GO:0007274", + "target": "HP:0011442" + }, + { + "key": "manifestation of", + "source": "HP:0011442", + "target": "MONDO:0005090" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR002231", + "target": "GO:0014046" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR000995", + "target": "GO:0007213" + }, + { + "key": "positively correlated with", + "source": "GO:0007213", + "target": "GO:0014046" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR000929", + "target": "GO:0014046" + }, + { + "key": "positively correlated with", + "source": "GO:0014046", + "target": "MONDO:0005090" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002749", + "label": "Drug", + "name": "chlorprothixene" + }, + { + "id": "InterPro:IPR000995", + "label": "GeneFamily", + "name": "Muscarinic acetylcholine receptor family" + }, + { + "id": "InterPro:IPR002231", + "label": "GeneFamily", + "name": "5-hydroxytryptamine receptor family" + }, + { + "id": "InterPro:IPR000929", + "label": "GeneFamily", + "name": "Dopamine receptor family" + }, + { + "id": "GO:0014046", + "label": "BiologicalProcess", + "name": "dopamine secretion" + }, + { + "id": "GO:0007274", + "label": "BiologicalProcess", + "name": "neuromuscular synaptic transmission" + }, + { + "id": "GO:0007213", + "label": "BiologicalProcess", + "name": "G protein-coupled acetylcholine receptor signaling pathway" + }, + { + "id": "HP:0011442", + "label": "PhenotypicFeature", + "name": "Abnormal central motor function" + }, + { + "id": "MESH:D012559", + "label": "Disease", + "name": "Schizophrenia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01239#mechanism-of-action", + "https://go.drugbank.com/drugs/DB01239#BE0000092", + "https://www.targetvalidation.org/summary?drug=CHEMBL908", + "https://en.wikipedia.org/wiki/Antipsychotic#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Mesolimbic_pathway#Relation_to_neurological_and_psychological_disorders", + "https://en.wikipedia.org/wiki/Schizophrenia#Medication" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB02701_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MONDO:0004247", + "drug": "ecabet", + "drug_mesh": "CHEBI:135593", + "drugbank": "DB:DB02701" + }, + "links": [ + { + "key": "molecularly interacts with", + "source": "CHEBI:135593", + "target": "MESH:C047874" + }, + { + "key": "located in", + "source": "MESH:C047874", + "target": "UBERON:0001199" + }, + { + "key": "produces", + "source": "UBERON:0001199", + "target": "UBERON:0000912" + }, + { + "key": "negatively correlated with", + "source": "UBERON:0000912", + "target": "MONDO:0004247" + }, + { + "key": "disrupts", + "source": "CHEBI:135593", + "target": "CHEBI:16412" + }, + { + "key": "positively regulates", + "source": "CHEBI:16412", + "target": "reactome:R-HSA-166016" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-166016", + "target": "GO:0006954" + }, + { + "key": "located in", + "source": "GO:0006954", + "target": "UBERON:0001276" + }, + { + "key": "location of", + "source": "UBERON:0001276", + "target": "MONDO:0004247" + }, + { + "key": "negatively regulates", + "source": "CHEBI:135593", + "target": "InterPro:IPR017950" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR017950", + "target": "GO:0009039" + }, + { + "key": "in taxon", + "source": "GO:0009039", + "target": "taxonomy:210" + }, + { + "key": "causes", + "source": "taxonomy:210", + "target": "MONDO:0004247" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C061681", + "label": "Drug", + "name": "ecabet" + }, + { + "id": "CHEBI:16412", + "label": "ChemicalSubstance", + "name": "lipopolysaccharide" + }, + { + "id": "reactome:R-HSA-166016", + "label": "Pathway", + "name": "Toll Like Receptor 4 (TLR4) Cascade" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "UBERON:0001276", + "label": "GrossAnatomicalStructure", + "name": "epithelium of stomach" + }, + { + "id": "InterPro:IPR017950", + "label": "GeneFamily", + "name": "Urease active site" + }, + { + "id": "GO:0009039", + "label": "MolecularActivity", + "name": "urease activity" + }, + { + "id": "taxonomy:210", + "label": "OrganismTaxon", + "name": "Helicobacter pylori" + }, + { + "id": "MESH:C047874", + "label": "GeneFamily", + "name": "gastric mucus glycoproteins" + }, + { + "id": "UBERON:0000912", + "label": "GrossAnatomicalStructure", + "name": "Mucus" + }, + { + "id": "MESH:D005753", + "label": "GrossAnatomicalStructure", + "name": "Gastric Mucosa" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB05265#mechanism-of-action", + "https://en.wikipedia.org/wiki/Peptic_ulcer_disease#H._pylori", + "https://drugs.ncats.io/drug/2K02669KW" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00880_MESH_D004487_1", + "disease": "Edema", + "disease_mesh": "HP:0000969", + "drug": "chlorothiazide", + "drug_mesh": "CHEBI:3640", + "drugbank": "DB:DB00880" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:3640", + "target": "UniProt:P55017" + }, + { + "key": "positively regulates", + "source": "UniProt:P55017", + "target": "GO:0015378" + }, + { + "key": "participates in", + "source": "GO:0015378", + "target": "GO:0035812" + }, + { + "key": "positively correlated with", + "source": "GO:0035812", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": "GO:0003092", + "target": "HP:0000969" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002740", + "label": "Drug", + "name": "chlorothiazide" + }, + { + "id": "UniProt:P55017", + "label": "Protein", + "name": "Solute carrier family 12 member 3" + }, + { + "id": "GO:0015378", + "label": "MolecularActivity", + "name": "sodium:chloride symporter activity" + }, + { + "id": "GO:0035812", + "label": "BiologicalProcess", + "name": "renal sodium excretion" + }, + { + "id": "GO:0003092", + "label": "BiologicalProcess", + "name": "renal water retention" + }, + { + "id": "MESH:D004487", + "label": "Disease", + "name": "Edema" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00880#BE0000419", + "https://en.wikipedia.org/wiki/Diuretic#Thiazides", + "https://en.wikipedia.org/wiki/Thiazide" + ] + }, + { + "comment": "The hypotensive effects of chlorothiazide and other thiazides are not necessarily due to their diuretic activity (https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2904515/#S1title). The exact mechanism is yet not fully understood.", + "directed": true, + "graph": { + "_id": "DB00880_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MONDO:0005044", + "drug": "chlorothiazide", + "drug_mesh": "CHEBI:3640", + "drugbank": "DB:DB00880" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:3640", + "target": "UniProt:P55017" + }, + { + "key": "positively regulates", + "source": "UniProt:P55017", + "target": "GO:0070294" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": "GO:0003092", + "target": "HP:0033533" + }, + { + "key": "positively correlated with", + "source": "HP:0033533", + "target": "HP:0032263" + }, + { + "key": "decreases activity of", + "source": "CHEBI:3640", + "target": "UniProt:P00918" + }, + { + "key": "positively regulates", + "source": "UniProt:P00918", + "target": "GO:0038166" + }, + { + "key": "positively correlated with", + "source": "GO:0038166", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0032263" + }, + { + "key": "positively regulates", + "source": "CHEBI:3640", + "target": "UniProt:Q12791" + }, + { + "key": "positively regulates", + "source": "UniProt:Q12791", + "target": "GO:0060087" + }, + { + "key": "negatively correlated with", + "source": "GO:0060087", + "target": "HP:0032263" + }, + { + "key": "manifestation of", + "source": "HP:0032263", + "target": "MONDO:0005044" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002740", + "label": "Drug", + "name": "chlorothiazide" + }, + { + "id": "UniProt:P55017", + "label": "Protein", + "name": "Solute carrier family 12 member 3" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "renal sodium ion absorption" + }, + { + "id": "GO:0003092", + "label": "BiologicalProcess", + "name": "renal water retention" + }, + { + "id": "HP:0033533", + "label": "PhenotypicFeature", + "name": "Increased cardiac output" + }, + { + "id": "UniProt:Q12791", + "label": "Protein", + "name": "Calcium-activated potassium channel subunit alpha-1" + }, + { + "id": "UniProt:P00918", + "label": "Protein", + "name": "Carbonic anhydrase 2" + }, + { + "id": "GO:0060087", + "label": "BiologicalProcess", + "name": "relaxation of vascular associated smooth muscle" + }, + { + "id": "GO:0038166", + "label": "BiologicalProcess", + "name": "angiotensin-activated signaling pathway" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0032263", + "label": "PhenotypicFeature", + "name": "Increased blood pressure" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00880#BE0000322", + "https://go.drugbank.com/drugs/DB00880#BE0000419", + "https://en.wikipedia.org/wiki/Category:Carbonic_anhydrase_inhibitors", + "https://pubchem.ncbi.nlm.nih.gov/compound/2720#section=Mechanism-of-Action" + ] + }, + { + "comment": "This drug may be able to bind to UniProt:P08908 but its pharmacological activity (agonism vs. antagonism) is not known (https://go.drugbank.com/drugs/DB00422#BE0000291).", + "directed": true, + "graph": { + "_id": "DB00422_MESH_D001289_1", + "disease": "Attention deficit hyperactivity disorder", + "disease_mesh": "MONDO:0005302", + "drug": "methylphenidate", + "drug_mesh": "CHEBI:6887", + "drugbank": "DB:DB00422" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:6887", + "target": "UniProt:Q01959" + }, + { + "key": "decreases activity of", + "source": "CHEBI:6887", + "target": "UniProt:P23975" + }, + { + "key": "positively regulates", + "source": "UniProt:Q01959", + "target": "GO:0090494" + }, + { + "key": "positively regulates", + "source": "UniProt:P23975", + "target": "GO:0051620" + }, + { + "key": "positively correlated with", + "source": "GO:0051620", + "target": "MONDO:0005302" + }, + { + "key": "positively correlated with", + "source": "GO:0090494", + "target": "MONDO:0005302" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008774", + "label": "Drug", + "name": "methylphenidate" + }, + { + "id": "UniProt:Q01959", + "label": "Protein", + "name": "Sodium-dependent dopamine transporter" + }, + { + "id": "UniProt:P23975", + "label": "Protein", + "name": "Sodium-dependent noradrenaline transporter" + }, + { + "id": "GO:0090494", + "label": "BiologicalProcess", + "name": "dopamine uptake" + }, + { + "id": "GO:0051620", + "label": "BiologicalProcess", + "name": "norepinephrine uptake" + }, + { + "id": "MESH:D001289", + "label": "Disease", + "name": "Attention deficit hyperactivity disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00422#mechanism-of-action", + "https://en.wikipedia.org/wiki/Methylphenidate#Pharmacodynamics", + "https://www.targetvalidation.org/summary?drug=CHEMBL796" + ] + }, + { + "comment": "This drug may be able to bind to UniProt:P08908 but its pharmacological activity (agonism vs. antagonism) is not known (https://go.drugbank.com/drugs/DB00422#BE0000291).", + "directed": true, + "graph": { + "_id": "DB00422_MESH_D009290_1", + "disease": "Narcolepsy", + "disease_mesh": "MONDO:0021107", + "drug": "methylphenidate", + "drug_mesh": "CHEBI:6887", + "drugbank": "DB:DB00422" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:6887", + "target": "UniProt:Q01959" + }, + { + "key": "decreases activity of", + "source": "CHEBI:6887", + "target": "UniProt:P23975" + }, + { + "key": "positively regulates", + "source": "UniProt:Q01959", + "target": "GO:0090494" + }, + { + "key": "positively regulates", + "source": "UniProt:P23975", + "target": "GO:0051620" + }, + { + "key": "positively correlated with", + "source": "GO:0051620", + "target": "MONDO:0021107" + }, + { + "key": "positively correlated with", + "source": "GO:0090494", + "target": "MONDO:0021107" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008774", + "label": "Drug", + "name": "methylphenidate" + }, + { + "id": "UniProt:Q01959", + "label": "Protein", + "name": "Sodium-dependent dopamine transporter" + }, + { + "id": "UniProt:P23975", + "label": "Protein", + "name": "Sodium-dependent noradrenaline transporter" + }, + { + "id": "GO:0090494", + "label": "BiologicalProcess", + "name": "dopamine uptake" + }, + { + "id": "GO:0051620", + "label": "BiologicalProcess", + "name": "norepinephrine uptake" + }, + { + "id": "MESH:D009290", + "label": "Disease", + "name": "Narcolepsy" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00422#mechanism-of-action", + "https://en.wikipedia.org/wiki/Methylphenidate#Pharmacodynamics", + "https://www.targetvalidation.org/summary?drug=CHEMBL796", + "https://en.wikipedia.org/wiki/Narcolepsy#Treatment" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00724_MESH_D014860_1", + "disease": "Verruca", + "disease_mesh": "MONDO:0001209", + "drug": "imiquimod", + "drug_mesh": "MESH:C056493", + "drugbank": "DB:DB00724" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C056493", + "target": "UniProt:Q9NYK1" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032609" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032635" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032637" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032606" + }, + { + "key": "part of", + "source": "GO:0032609", + "target": "GO:0051607" + }, + { + "key": "part of", + "source": "GO:0032635", + "target": "GO:0051607" + }, + { + "key": "part of", + "source": "GO:0032637", + "target": "GO:0051607" + }, + { + "key": "part of", + "source": "GO:0032606", + "target": "GO:0051607" + }, + { + "key": "decreases abundance of", + "source": "GO:0051607", + "target": "taxonomy:10566" + }, + { + "key": "causes", + "source": "taxonomy:10566", + "target": "MONDO:0001209" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C056493", + "label": "Drug", + "name": "imiquimod" + }, + { + "id": "UniProt:Q9NYK1", + "label": "Protein", + "name": "Toll-like receptor 7" + }, + { + "id": "GO:0032609", + "label": "BiologicalProcess", + "name": "interferon-gamma production" + }, + { + "id": "GO:0032606", + "label": "BiologicalProcess", + "name": "type I interferon production" + }, + { + "id": "GO:0032637", + "label": "BiologicalProcess", + "name": "interleukin-8 production" + }, + { + "id": "GO:0032635", + "label": "BiologicalProcess", + "name": "interleukin-6 production" + }, + { + "id": "GO:0051607", + "label": "BiologicalProcess", + "name": "defense response to virus" + }, + { + "id": "taxonomy:10566", + "label": "OrganismTaxon", + "name": "Human papillomavirus" + }, + { + "id": "MESH:D014860", + "label": "Disease", + "name": "Verruca" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00724#BE0000155", + "https://en.wikipedia.org/wiki/Imiquimod#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Wart#Treatment" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00724_MESH_D003218_1", + "disease": "Condyloma acuminatum", + "disease_mesh": "MONDO:0005647", + "drug": "imiquimod", + "drug_mesh": "MESH:C056493", + "drugbank": "DB:DB00724" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C056493", + "target": "UniProt:Q9NYK1" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032609" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032635" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032637" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032606" + }, + { + "key": "part of", + "source": "GO:0032609", + "target": "GO:0051607" + }, + { + "key": "part of", + "source": "GO:0032635", + "target": "GO:0051607" + }, + { + "key": "part of", + "source": "GO:0032637", + "target": "GO:0051607" + }, + { + "key": "part of", + "source": "GO:0032606", + "target": "GO:0051607" + }, + { + "key": "decreases abundance of", + "source": "GO:0051607", + "target": "taxonomy:10566" + }, + { + "key": "causes", + "source": "taxonomy:10566", + "target": "MONDO:0005647" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C056493", + "label": "Drug", + "name": "imiquimod" + }, + { + "id": "UniProt:Q9NYK1", + "label": "Protein", + "name": "Toll-like receptor 7" + }, + { + "id": "GO:0032609", + "label": "BiologicalProcess", + "name": "interferon-gamma production" + }, + { + "id": "GO:0032606", + "label": "BiologicalProcess", + "name": "type I interferon production" + }, + { + "id": "GO:0032637", + "label": "BiologicalProcess", + "name": "interleukin-8 production" + }, + { + "id": "GO:0032635", + "label": "BiologicalProcess", + "name": "interleukin-6 production" + }, + { + "id": "GO:0051607", + "label": "BiologicalProcess", + "name": "defense response to virus" + }, + { + "id": "taxonomy:10566", + "label": "OrganismTaxon", + "name": "Human papillomavirus" + }, + { + "id": "MESH:D003218", + "label": "Disease", + "name": "Condyloma acuminatum" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00724#BE0000155", + "https://en.wikipedia.org/wiki/Imiquimod#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Genital_wart#Topical_agents" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00724_MESH_D055623_1", + "disease": "Actinic keratosis", + "disease_mesh": "MONDO:0005173", + "drug": "imiquimod", + "drug_mesh": "MESH:C056493", + "drugbank": "DB:DB00724" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C056493", + "target": "UniProt:Q9NYK1" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032609" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032635" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032637" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9NYK1", + "target": "GO:0032606" + }, + { + "key": "part of", + "source": "GO:0032609", + "target": "GO:0051607" + }, + { + "key": "part of", + "source": "GO:0032635", + "target": "GO:0051607" + }, + { + "key": "part of", + "source": "GO:0032637", + "target": "GO:0051607" + }, + { + "key": "part of", + "source": "GO:0032606", + "target": "GO:0051607" + }, + { + "key": "decreases abundance of", + "source": "GO:0051607", + "target": "taxonomy:333922" + }, + { + "key": "causes", + "source": "taxonomy:333922", + "target": "MONDO:0005173" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C056493", + "label": "Drug", + "name": "imiquimod" + }, + { + "id": "UniProt:Q9NYK1", + "label": "Protein", + "name": "Toll-like receptor 7" + }, + { + "id": "GO:0032609", + "label": "BiologicalProcess", + "name": "interferon-gamma production" + }, + { + "id": "GO:0032606", + "label": "BiologicalProcess", + "name": "type I interferon production" + }, + { + "id": "GO:0032637", + "label": "BiologicalProcess", + "name": "interleukin-8 production" + }, + { + "id": "GO:0032635", + "label": "BiologicalProcess", + "name": "interleukin-6 production" + }, + { + "id": "GO:0051607", + "label": "BiologicalProcess", + "name": "defense response to virus" + }, + { + "id": "taxonomy:333922", + "label": "OrganismTaxon", + "name": "Betapapillomavirus" + }, + { + "id": "MESH:D055623", + "label": "Disease", + "name": "Actinic keratosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00724#BE0000155", + "https://en.wikipedia.org/wiki/Imiquimod#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Actinic_keratosis#Other_risk_factors", + "https://en.wikipedia.org/wiki/Actinic_keratosis#Medication" + ] + }, + { + "comment": "This drug can also inhbit human proteins and affect with the mammalian cell division/replication, which make them an attractive antitumour agent (https://pubmed.ncbi.nlm.nih.gov/11102564/).", + "directed": true, + "graph": { + "_id": "DB01179_MESH_D003218_1", + "disease": "Condyloma acuminatum", + "disease_mesh": "MONDO:0005647", + "drug": "podophyllotoxin", + "drug_mesh": "CHEBI:50305", + "drugbank": "DB:DB01179" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:50305", + "target": "UniProt:P03120" + }, + { + "key": "positively regulates", + "source": "UniProt:P03120", + "target": "GO:0039693" + }, + { + "key": "in taxon", + "source": "GO:0039693", + "target": "taxonomy:10566" + }, + { + "key": "causes", + "source": "taxonomy:10566", + "target": "MONDO:0005647" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011034", + "label": "Drug", + "name": "podophyllotoxin" + }, + { + "id": "UniProt:P03120", + "label": "Protein", + "name": "Regulatory protein E2" + }, + { + "id": "GO:0039693", + "label": "BiologicalProcess", + "name": "viral DNA genome replication" + }, + { + "id": "taxonomy:10566", + "label": "OrganismTaxon", + "name": "Human papillomavirus" + }, + { + "id": "MESH:D003218", + "label": "Disease", + "name": "Condyloma acuminatum" + } + ], + "reference": [ + "https://drugcentral.org/drugcard/3481?q=Podofilox" + ] + }, + { + "comment": "A right balance needs to be struck for normal bone formation, which involved bone resorption, the breaking down of bone tissue. This drug is actually a portion of the physiologically procuded hormone, PTH, which does increase bone resorption. So the right amount of drug (and frequency) is needed to be achieved to have a net effect of stimulating new bone formation therefore preventing osteoporosis.", + "directed": true, + "graph": { + "_id": "DB06285_MESH_D015663_1", + "disease": "Postmenopausal osteoporosis", + "disease_mesh": "MONDO:0008159", + "drug": "teriparatide", + "drug_mesh": "CHEBI:135983", + "drugbank": "DB:DB06285" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:135983", + "target": "UniProt:Q03431" + }, + { + "key": "positively regulates", + "source": "UniProt:Q03431", + "target": "GO:0004991" + }, + { + "key": "positively correlated with", + "source": "GO:0004991", + "target": "GO:0001503" + }, + { + "key": "positively correlated with", + "source": "GO:0004991", + "target": "GO:0002076" + }, + { + "key": "positively correlated with", + "source": "GO:0004991", + "target": "GO:0002062" + }, + { + "key": "positively correlated with", + "source": "GO:0004991", + "target": "GO:0002076" + }, + { + "key": "negatively correlated with", + "source": "GO:0001503", + "target": "HP:0004349" + }, + { + "key": "negatively correlated with", + "source": "GO:0002076", + "target": "HP:0004349" + }, + { + "key": "negatively correlated with", + "source": "GO:0002062", + "target": "HP:0004349" + }, + { + "key": "negatively correlated with", + "source": "GO:0002076", + "target": "HP:0004349" + }, + { + "key": "positively correlated with", + "source": "HP:0004349", + "target": "MONDO:0008159" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D019379", + "label": "Drug", + "name": "teriparatide" + }, + { + "id": "UniProt:Q03431", + "label": "Protein", + "name": "Parathyroid hormone/parathyroid hormone-related peptide receptor" + }, + { + "id": "GO:0004991", + "label": "MolecularActivity", + "name": "parathyroid hormone receptor activity" + }, + { + "id": "GO:0001503", + "label": "BiologicalProcess", + "name": "ossification" + }, + { + "id": "GO:0002076", + "label": "BiologicalProcess", + "name": "osteoblast development" + }, + { + "id": "GO:0002062", + "label": "BiologicalProcess", + "name": "chondrocyte differentiation" + }, + { + "id": "HP:0004349", + "label": "Disease", + "name": "Reduced bone mineral density" + }, + { + "id": "MESH:D015663", + "label": "Disease", + "name": "Postmenopausal osteoporosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06285#mechanism-of-action", + "https://en.wikipedia.org/wiki/Teriparatide#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09030_MESH_D020521_1", + "disease": "Cerebrovascular accident", + "disease_mesh": "MONDO:0005098", + "drug": "vorapaxar", + "drug_mesh": "CHEBI:82702", + "drugbank": "DB:DB09030" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:82702", + "target": "UniProt:P25116" + }, + { + "key": "positively regulates", + "source": "UniProt:P25116", + "target": "GO:0015057" + }, + { + "key": "participates in", + "source": "GO:0015057", + "target": "reactome:R-HSA-140877" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-140877", + "target": "GO:0070527" + }, + { + "key": "positively correlated with", + "source": "GO:0070527", + "target": "MONDO:0000831" + }, + { + "key": "positively correlated with", + "source": "MONDO:0000831", + "target": "MONDO:0005098" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C530299", + "label": "Drug", + "name": "vorapaxar" + }, + { + "id": "UniProt:P25116", + "label": "Protein", + "name": "Proteinase-activated receptor 1" + }, + { + "id": "GO:0015057", + "label": "MolecularActivity", + "name": "thrombin-activated receptor activity" + }, + { + "id": "reactome:R-HSA-140877", + "label": "Pathway", + "name": "Formation of Fibrin Clot (Clotting Cascade)" + }, + { + "id": "GO:0070527", + "label": "BiologicalProcess", + "name": "platelet aggregation" + }, + { + "id": "MESH:D013927", + "label": "PhenotypicFeature", + "name": "Thrombosis" + }, + { + "id": "MESH:D020521", + "label": "Disease", + "name": "Cerebrovascular accident" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09030#mechanism-of-action", + "https://en.wikipedia.org/wiki/Vorapaxar#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB11792_MESH_D007172_1", + "disease": "Impotence", + "disease_mesh": "MONDO:0005362", + "drug": "mirodenafil", + "drug_mesh": "CHEBI:136049", + "drugbank": "DB:DB11792" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:136049", + "target": "UniProt:O76074" + }, + { + "key": "positively regulates", + "source": "UniProt:O76074", + "target": "GO:0046069" + }, + { + "key": "decreases abundance of", + "source": "GO:0046069", + "target": "CHEBI:16356" + }, + { + "key": "positively correlated with", + "source": "CHEBI:16356", + "target": "GO:0007263" + }, + { + "key": "positively correlated with", + "source": "GO:0007263", + "target": "GO:0044557" + }, + { + "key": "negatively correlated with", + "source": "GO:0044557", + "target": "HP:0100639" + }, + { + "key": "manifestation of", + "source": "HP:0100639", + "target": "MONDO:0005362" + } + ], + "multigraph": true, + "nodes": [ + { + "all_id": [ + "MESH:C518762" + ], + "id": "MESH:C528396", + "label": "Drug", + "name": "mirodenafil" + }, + { + "id": "UniProt:O76074", + "label": "Protein", + "name": "cGMP-specific 3',5'-cyclic phosphodiesterase" + }, + { + "id": "GO:0046069", + "label": "BiologicalProcess", + "name": "cGMP catabolic process" + }, + { + "id": "CHEBI:16356", + "label": "ChemicalSubstance", + "name": "3',5'-cyclic GMP" + }, + { + "id": "GO:0007263", + "label": "BiologicalProcess", + "name": "nitric oxide mediated signal transduction" + }, + { + "id": "GO:0044557", + "label": "BiologicalProcess", + "name": "relaxation of smooth muscle" + }, + { + "id": "HP:0100639", + "label": "PhenotypicFeature", + "name": "Erectile dysfunction" + }, + { + "id": "MESH:D007172", + "label": "Disease", + "name": "Impotence" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Mirodenafil", + "https://en.wikipedia.org/wiki/PDE5_inhibitor#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Nitric_oxide#Biological_functions" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB12214_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MONDO:0005148", + "drug": "luseogliflozin", + "drug_mesh": "CHEBI:134725", + "drugbank": "DB:DB12214" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:134725", + "target": "UniProt:P13866" + }, + { + "key": "negatively regulates", + "source": "CHEBI:134725", + "target": "UniProt:Q8WWX8" + }, + { + "key": "positively regulates", + "source": "UniProt:P13866", + "target": "GO:0098708" + }, + { + "key": "positively regulates", + "source": "UniProt:Q8WWX8", + "target": "GO:1904659" + }, + { + "key": "positively correlated with", + "source": "GO:0098708", + "target": "GO:0035623" + }, + { + "key": "positively correlated with", + "source": "GO:1904659", + "target": "GO:0035623" + }, + { + "key": "positively correlated with", + "source": "GO:0035623", + "target": "MONDO:0002909" + }, + { + "key": "manifestation of", + "source": "MONDO:0002909", + "target": "MONDO:0005148" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C549343", + "label": "Drug", + "name": "luseogliflozin" + }, + { + "id": "UniProt:P13866", + "label": "Protein", + "name": "Sodium/glucose cotransporter 1" + }, + { + "id": "UniProt:Q8WWX8", + "label": "Protein", + "name": "Sodium/myo-inositol cotransporter 2" + }, + { + "id": "GO:0098708", + "label": "BiologicalProcess", + "name": "glucose import across plasma membrane" + }, + { + "id": "GO:1904659", + "label": "BiologicalProcess", + "name": "glucose transmembrane transport" + }, + { + "id": "GO:0035623", + "label": "BiologicalProcess", + "name": "renal glucose absorption" + }, + { + "id": "HP:0003074", + "label": "PhenotypicFeature", + "name": "Hyperglycemia" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Luseogliflozin", + "https://en.wikipedia.org/wiki/SGLT2_inhibitor" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01003_MESH_D065631_1", + "disease": "Allergic rhinitis", + "disease_mesh": "MONDO:0011786", + "drug": "cromoglicic acid", + "drug_mesh": "PUBCHEM.COMPOUND:27503", + "drugbank": "DB:DB01003" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:27503", + "target": "UniProt:P25815" + }, + { + "key": "positively correlated with", + "source": "UniProt:P25815", + "target": "GO:0043303" + }, + { + "key": "positively correlated with", + "source": "UniProt:P25815", + "target": "GO:0043308" + }, + { + "key": "caused by", + "source": "GO:0043303", + "target": "reactome:R-HSA-2454202" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002441" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002540" + }, + { + "key": "positively correlated with", + "source": "GO:0043308", + "target": "GO:0002540" + }, + { + "key": "positively correlated with", + "source": "GO:0002441", + "target": "MONDO:0011786" + }, + { + "key": "positively correlated with", + "source": "GO:0002540", + "target": "MONDO:0011786" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004205", + "label": "Drug", + "name": "cromoglicic acid" + }, + { + "id": "UniProt:P25815", + "label": "Protein", + "name": "Protein S100-P" + }, + { + "id": "GO:0043303", + "label": "BiologicalProcess", + "name": "mast cell degranulation" + }, + { + "id": "GO:0043308", + "label": "BiologicalProcess", + "name": "eosinophil degranulation" + }, + { + "id": "reactome:R-HSA-2454202", + "label": "Pathway", + "name": "Allergen dependent IgE bound FCERI aggregation" + }, + { + "id": "GO:0002540", + "label": "BiologicalProcess", + "name": "leukotriene production involved in inflammatory response" + }, + { + "id": "GO:0002441", + "label": "BiologicalProcess", + "name": "histamine secretion involved in inflammatory response" + }, + { + "id": "MESH:D065631", + "label": "Disease", + "name": "Allergic rhinitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01003#mechanism-of-action", + "https://en.wikipedia.org/wiki/Mast_cell_stabilizer", + "https://pubmed.ncbi.nlm.nih.gov/25450399/", + "https://pubchem.ncbi.nlm.nih.gov/compound/2882#section=Pharmacology-and-Biochemistry", + "https://pubmed.ncbi.nlm.nih.gov/12645002/", + "https://en.wikipedia.org/wiki/RAGE_(receptor)#RAGE_and_disease", + "https://en.wikipedia.org/wiki/S100P#Interactions" + ] + }, + { + "comment": "This condition does not seem to be a true ocular allergic reaction, rather caused by repeated mechanical irritation of the conjunctiva (https://en.wikipedia.org/wiki/Allergic_conjunctivitis#Giant_papillary_conjunctivitis). So the treatment with cromoglicic acid may not be needed/useful at all but interruption of contact lens wearing.", + "directed": true, + "graph": { + "_id": "DB01003_MESH_D003233_1", + "disease": "Giant papillary conjunctivitis", + "disease_mesh": "MONDO:0005642", + "drug": "cromoglicic acid", + "drug_mesh": "PUBCHEM.COMPOUND:27503", + "drugbank": "DB:DB01003" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:27503", + "target": "UniProt:P25815" + }, + { + "key": "positively correlated with", + "source": "UniProt:P25815", + "target": "GO:0043303" + }, + { + "key": "positively correlated with", + "source": "UniProt:P25815", + "target": "GO:0043308" + }, + { + "key": "caused by", + "source": "GO:0043303", + "target": "reactome:R-HSA-2454202" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002441" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002540" + }, + { + "key": "positively correlated with", + "source": "GO:0043308", + "target": "GO:0002540" + }, + { + "key": "positively correlated with", + "source": "GO:0002441", + "target": "MONDO:0005642" + }, + { + "key": "positively correlated with", + "source": "GO:0002540", + "target": "MONDO:0005642" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004205", + "label": "Drug", + "name": "cromoglicic acid" + }, + { + "id": "UniProt:P25815", + "label": "Protein", + "name": "Protein S100-P" + }, + { + "id": "GO:0043303", + "label": "BiologicalProcess", + "name": "mast cell degranulation" + }, + { + "id": "GO:0043308", + "label": "BiologicalProcess", + "name": "eosinophil degranulation" + }, + { + "id": "GO:0002540", + "label": "BiologicalProcess", + "name": "leukotriene production involved in inflammatory response" + }, + { + "id": "reactome:R-HSA-2454202", + "label": "Pathway", + "name": "Allergen dependent IgE bound FCERI aggregation" + }, + { + "id": "GO:0002441", + "label": "BiologicalProcess", + "name": "histamine secretion involved in inflammatory response" + }, + { + "id": "MESH:D003233", + "label": "Disease", + "name": "Giant papillary conjunctivitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01003#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/25450399/", + "https://pubchem.ncbi.nlm.nih.gov/compound/2882#section=Pharmacology-and-Biochemistry", + "https://pubmed.ncbi.nlm.nih.gov/12645002/", + "https://en.wikipedia.org/wiki/RAGE_(receptor)#RAGE_and_disease", + "https://en.wikipedia.org/wiki/Mast_cell_stabilizer", + "https://en.wikipedia.org/wiki/S100P#Interactions" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01003_MESH_D034721_1", + "disease": "Systemic mast cell disease", + "disease_mesh": "MONDO:0016586", + "drug": "cromoglicic acid", + "drug_mesh": "PUBCHEM.COMPOUND:27503", + "drugbank": "DB:DB01003" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:27503", + "target": "UniProt:P25815" + }, + { + "key": "positively correlated with", + "source": "UniProt:P25815", + "target": "GO:0043303" + }, + { + "key": "caused by", + "source": "GO:0043303", + "target": "reactome:R-HSA-2454202" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002441" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002540" + }, + { + "key": "positively correlated with", + "source": "GO:0002441", + "target": "MONDO:0016586" + }, + { + "key": "positively correlated with", + "source": "GO:0002540", + "target": "MONDO:0016586" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004205", + "label": "Drug", + "name": "cromoglicic acid" + }, + { + "id": "UniProt:P25815", + "label": "Protein", + "name": "Protein S100-P" + }, + { + "id": "GO:0043303", + "label": "BiologicalProcess", + "name": "mast cell degranulation" + }, + { + "id": "reactome:R-HSA-2454202", + "label": "Pathway", + "name": "Allergen dependent IgE bound FCERI aggregation" + }, + { + "id": "GO:0002540", + "label": "BiologicalProcess", + "name": "leukotriene production involved in inflammatory response" + }, + { + "id": "GO:0002441", + "label": "BiologicalProcess", + "name": "histamine secretion involved in inflammatory response" + }, + { + "id": "MESH:D034721", + "label": "Disease", + "name": "Systemic mast cell disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01003#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/25450399/", + "https://pubchem.ncbi.nlm.nih.gov/compound/2882#section=Pharmacology-and-Biochemistry", + "https://pubmed.ncbi.nlm.nih.gov/12645002/", + "https://en.wikipedia.org/wiki/RAGE_(receptor)#RAGE_and_disease", + "https://en.wikipedia.org/wiki/S100P#Interactions", + "https://en.wikipedia.org/wiki/Mastocytosis#Anti-mediator_therapy", + "https://en.wikipedia.org/wiki/Mast_cell_stabilizer" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01003_MESH_D001249_1", + "disease": "Asthma", + "disease_mesh": "MONDO:0004979", + "drug": "cromoglicic acid", + "drug_mesh": "PUBCHEM.COMPOUND:27503", + "drugbank": "DB:DB01003" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:27503", + "target": "UniProt:P25815" + }, + { + "key": "positively correlated with", + "source": "UniProt:P25815", + "target": "GO:0043303" + }, + { + "key": "caused by", + "source": "GO:0043303", + "target": "reactome:R-HSA-2454202" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002441" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2454202", + "target": "GO:0002540" + }, + { + "key": "positively correlated with", + "source": "GO:0002441", + "target": "MONDO:0004979" + }, + { + "key": "positively correlated with", + "source": "GO:0002540", + "target": "MONDO:0004979" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004205", + "label": "Drug", + "name": "cromoglicic acid" + }, + { + "id": "UniProt:P25815", + "label": "Protein", + "name": "Protein S100-P" + }, + { + "id": "GO:0043303", + "label": "BiologicalProcess", + "name": "mast cell degranulation" + }, + { + "id": "reactome:R-HSA-2454202", + "label": "Pathway", + "name": "Allergen dependent IgE bound FCERI aggregation" + }, + { + "id": "GO:0002540", + "label": "BiologicalProcess", + "name": "leukotriene production involved in inflammatory response" + }, + { + "id": "GO:0002441", + "label": "BiologicalProcess", + "name": "histamine secretion involved in inflammatory response" + }, + { + "id": "MESH:D001249", + "label": "Disease", + "name": "Asthma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01003#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/25450399/", + "https://pubchem.ncbi.nlm.nih.gov/compound/2882#section=Pharmacology-and-Biochemistry", + "https://pubmed.ncbi.nlm.nih.gov/12645002/", + "https://en.wikipedia.org/wiki/RAGE_(receptor)#RAGE_and_disease", + "https://en.wikipedia.org/wiki/S100P#Interactions", + "https://en.wikipedia.org/wiki/Mastocytosis#Anti-mediator_therapy", + "https://en.wikipedia.org/wiki/Mast_cell_stabilizer", + "https://en.wikipedia.org/wiki/Asthma#Management" + ] + }, + { + "comment": "The drug, tofogliflozin is under investigational.", + "directed": true, + "graph": { + "_id": "DB11824_MESH_D003924_1", + "disease": "Diabetes Mellitus, Type 2", + "disease_mesh": "MONDO:0005148", + "drug": "Tofogliflozin", + "drug_mesh": "MESH:C575086", + "drugbank": "DB:DB11824" + }, + "links": [ + { + "key": "decreases activity of", + "source": "DB:DB11824", + "target": "UniProt:P31639" + }, + { + "key": "positively regulates", + "source": "UniProt:P31639", + "target": "GO:0035623" + }, + { + "key": "correlated with", + "source": "GO:0035623", + "target": "MESH:D001786" + }, + { + "key": "positively correlated with", + "source": "MESH:D001786", + "target": "MONDO:0005148" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB11824", + "label": "Drug", + "name": "Tofogliflozin" + }, + { + "id": "UniProt:P31639", + "label": "Protein", + "name": "Sodium/glucose cotransporter 2" + }, + { + "id": "GO:0035623", + "label": "BiologicalProcess", + "name": "renal glucose absorption" + }, + { + "id": "MESH:D001786", + "label": "ChemicalSubstance", + "name": "Blood Glucose" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes Mellitus, Type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB11824#mechanism-of-action", + "https://drugs.ncats.io/substances?q=%22TOFOGLIFLOZIN%22", + "https://en.wikipedia.org/wiki/Tofogliflozin", + "https://www.uniprot.org/uniprot/P31639#function", + "https://en.wikipedia.org/wiki/Type_2_diabetes" + ] + }, + { + "comment": "Simvastatin is a prodrug in which the 6-membered lactone ring of simvastatin is hydrolyzed to generate the simvastatin hydroxy acid (beta,delta-dihydroxy acid), an active metabolite in the body.", + "directed": true, + "graph": { + "_id": "DB00641_MESH_D006937_1", + "disease": "Hypercholesterolemia", + "disease_mesh": "HP:0003124", + "drug": "Simvastatin", + "drug_mesh": "CHEBI:9150", + "drugbank": "DB:DB00641" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:9150", + "target": "CHEBI:169041" + }, + { + "key": "decreases activity of", + "source": "CHEBI:169041", + "target": "UniProt:P04035" + }, + { + "key": "positively regulates", + "source": "UniProt:P04035", + "target": "GO:0006695" + }, + { + "key": "increases abundance of", + "source": "GO:0006695", + "target": "CHEBI:16113" + }, + { + "key": "positively correlated with", + "source": "CHEBI:16113", + "target": "HP:0003124" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D019821", + "label": "Drug", + "name": "Simvastatin" + }, + { + "id": "CHEBI:169041", + "label": "ChemicalSubstance", + "name": 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"https://en.wikipedia.org/wiki/Hypoalphalipoproteinemia" + ] + }, + { + "comment": "Simvastatin is a prodrug in which the 6-membered lactone ring of simvastatin is hydrolyzed to generate the simvastatin hydroxy acid (beta,delta-dihydroxy acid), an active metabolite in the body.", + "directed": true, + "graph": { + "_id": "DB00641_MESH_D006952_1", + "disease": "Hyperlipoproteinemia Type III", + "disease_mesh": "MONDO:0018473", + "drug": "Simvastatin", + "drug_mesh": "CHEBI:9150", + "drugbank": "DB:DB00641" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:9150", + "target": "CHEBI:169041" + }, + { + "key": "decreases activity of", + "source": "CHEBI:169041", + "target": "UniProt:P04035" + }, + { + "key": "increases activity of", + "source": "CHEBI:169041", + "target": "UniProt:P06858" + }, + { + "key": "increases activity of", + "source": "CHEBI:169041", + "target": "UniProt:P02647" + }, + { + "key": "positively regulates", + "source": "UniProt:P04035", + "target": 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"MESH:D001161", + "label": "Disease", + "name": "Arteriosclerosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00641#mechanism-of-action", + "https://en.wikipedia.org/wiki/Simvastatin#Pharmacology", + "https://www.mayoclinic.org/diseases-conditions/arteriosclerosis-atherosclerosis/symptoms-causes/syc-20350569", + "https://en.wikipedia.org/wiki/Arteriosclerosis" + ] + }, + { + "comment": "Pipotiazine is under investigational in USA but approved in UK and other countries for schizophrenia.", + "directed": true, + "graph": { + "_id": "DB01621_MESH_D012559_1", + "disease": "Schizophrenia", + "disease_mesh": "MONDO:0005090", + "drug": "Pipotiazine", + "drug_mesh": "MESH:null", + "drugbank": "DB:DB01621" + }, + "links": [ + { + "key": "decreases activity of", + "source": "DB:DB01621", + "target": "InterPro:IPR000929" + }, + { + "key": "correlated with", + "source": "InterPro:IPR000929", + "target": "CHEBI:18243" + }, + { + "key": "positively correlated with", + "source": 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"https://en.wikipedia.org/wiki/Hepatic_encephalopathy" + ] + }, + { + "comment": "Iproniazid is withdrawn in USA due to interactions with tyrosine in food products.", + "directed": true, + "graph": { + "_id": "DB04818_MESH_D003866_1", + "disease": "Depressive Disorder", + "disease_mesh": "MONDO:0002050", + "drug": "Iproniazid", + "drug_mesh": "CHEBI:5958", + "drugbank": "DB:DB04818" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:5958", + "target": "UniProt:P21397" + }, + { + "key": "decreases activity of", + "source": "CHEBI:5958", + "target": "UniProt:P27338" + }, + { + "key": "has metabolite", + "source": "CHEBI:5958", + "target": "PUBCHEM.COMPOUND:52789" + }, + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:52789", + "target": "UniProt:P21397" + }, + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:52789", + "target": "UniProt:P27338" + }, + { + "key": "positively regulates", + "source": "UniProt:P21397", + "target": 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However, only the levorotary enantiomer (levonorgestrel) is biologically active. There is an evidence indicating that levonorgestrel activates progesteron receptor https://pubmed.ncbi.nlm.nih.gov/16112947/", + "directed": true, + "graph": { + "_id": "DB09389_MESH_D008595_1", + "disease": "Menorrhagia", + "disease_mesh": "HP:0000132", + "drug": "Norgestrel", + "drug_mesh": "CHEBI:7630", + "drugbank": "DB:DB09389" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:7630", + "target": "UniProt:P06401" + }, + { + "key": "negatively regulates", + "source": "UniProt:P06401", + "target": "GO:0050673" + }, + { + "key": "positively correlated with", + "source": "GO:0050673", + "target": "HP:0000132" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009644", + "label": "Drug", + "name": "Norgestrel" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "GO:0050673", + "label": "BiologicalProcess", + "name": "Epithelial cell proliferation" + }, + { + "id": "MESH:D008595", + "label": "Disease", + "name": "Menorrhagia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00367#BE0000557", + "https://pubmed.ncbi.nlm.nih.gov/8671392/" + ] + }, + { + "comment": "Levonorgestrel is prescribed in combination with estradiol as a hormone therapy during menopause to prevent osteoporosis and in this case estradiol is the acive drug that prevents oseoporosis, while levonorgestrel is added for the protection of the endometrium", + "directed": true, + "graph": { + "_id": "DB00367_MESH_D015663_1", + "disease": "Postmenopausal osteoporosis", + "disease_mesh": "MONDO:0008159", + "drug": "Levonorgestrel", + "drug_mesh": "CHEBI:6443", + "drugbank": "DB:DB00367" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:6443", + "target": "MONDO:0008159" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D016912", + "label": "Drug", + "name": "Levonorgestrel" + }, + { + "id": "MESH:D015663", + "label": "Disease", + "name": "Postmenopausal osteoporosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00367#BE0000557", + "https://en.wikipedia.org/wiki/Levonorgestrel#Hormone_therapy" + ] + }, + { + "comment": "Norgestrel is composed of a racemic mixture of two stereoisomers, dextronorgestrel and levonorgestrel. However, only the levorotary enantiomer (levonorgestrel) is biologically active. Norgestrel is prescribed in combination with estradiol as a hormone therapy during menopause to prevent osteoporosis and in this case estradiol is the acive drug that prevents oseoporosis, while norgestrel is added for the protection of the endometrium", + "directed": true, + "graph": { + "_id": "DB09389_MESH_D015663_1", + "disease": "Postmenopausal osteoporosis", + "disease_mesh": "MONDO:0008159", + "drug": "Norgestrel", + "drug_mesh": "CHEBI:7630", + "drugbank": "DB:DB09389" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:7630", + "target": "MONDO:0008159" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009644", + "label": "Drug", + "name": "Norgestrel" + }, + { + "id": "MESH:D015663", + "label": "Disease", + "name": "Postmenopausal osteoporosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00367#BE0000557", + "https://en.wikipedia.org/wiki/Norgestrel#Medical_uses" + ] + }, + { + "comment": "Levonorgestrel is prescribed in combination with estradiol as a hormone therapy during menopause to prevent menopausal flushing and in this case estradiol is the acive drug, while levonorgestrel is added for the protection of the endometrium", + "directed": true, + "graph": { + "_id": "DB00367_MESH_D019584_1", + "disease": "Menopausal flushing", + "disease_mesh": "HP:0031217", + "drug": "Levonorgestrel", + "drug_mesh": "CHEBI:6443", + "drugbank": "DB:DB00367" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:6443", + "target": "HP:0031217" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D016912", + "label": "Drug", + "name": "Levonorgestrel" + }, + { + "id": "MESH:D019584", + "label": "Disease", + "name": "Menopausal flushing" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00367#BE0000557", + "https://en.wikipedia.org/wiki/Levonorgestrel#Hormone_therapy" + ] + }, + { + "comment": "Norgestrel is prescribed in combination with estradiol as a hormone therapy during menopause to prevent menopausal flushing; in this drug combination estradiol is the acive drug, while norgestrel is added for the protection of the endometrium.", + "directed": true, + "graph": { + "_id": "DB09389_MESH_D019584_1", + "disease": "Menopausal flushing", + "disease_mesh": "HP:0031217", + "drug": "Norgestrel", + "drug_mesh": "CHEBI:7630", + "drugbank": "DB:DB09389" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:7630", + "target": "HP:0031217" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009644", + "label": "Drug", + "name": "Norgestrel" + }, + { + "id": "MESH:D019584", + "label": "Disease", + "name": "Menopausal flushing" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00367#BE0000557", + "https://en.wikipedia.org/wiki/Norgestrel#Medical_uses" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00471_MESH_D065631_1", + "disease": "Allergic rhinitis", + "disease_mesh": "MONDO:0011786", + "drug": "Montelukast", + "drug_mesh": "CHEBI:50730", + "drugbank": 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It is thought that brivaracetam binds to SV2A and causes the reduction in the rate of vesicle release including release of excitatory neurotransmitters.", + "directed": true, + "graph": { + "_id": "DB05541_MESH_D004828_1", + "disease": "Partial seizure", + "disease_mesh": "MONDO:0005384", + "drug": "Brivaracetam", + "drug_mesh": "CHEBI:133013", + "drugbank": "DB:DB05541" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:133013", + "target": "UniProt:Q7L0J3" + }, + { + "key": "negatively regulates", + "source": "CHEBI:133013", + "target": "GO:0005248" + }, + { + "key": "participates in", + "source": "UniProt:Q7L0J3", + "target": "GO:0007269" + }, + { + "key": "positively correlated with", + "source": "GO:0005248", + "target": "MONDO:0005027" + }, + { + "key": "correlated with", + "source": "GO:0007269", + "target": "MONDO:0005384" + }, + { + "key": "manifestation of", + "source": "MONDO:0005027", + "target": "MONDO:0005384" + } + ], + "multigraph": true, + 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Gram-negative examples of bacteria causing pneumonia are Haemophilus influenzae, Klebsiella pneumoniae and Escherichia coli.", + "directed": true, + "graph": { + "_id": "DB01137_MESH_D003234_2", + "disease": "Pneumonia due to Mycoplasma pneumoniae", + "disease_mesh": "MONDO:0006668", + "drug": "levofloxacin", + "drug_mesh": "CHEBI:63598", + "drugbank": "DB:DB01137" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:63598", + "target": "InterPro:IPR035516" + }, + { + "key": "negatively regulates", + "source": "CHEBI:63598", + "target": "InterPro:IPR013760" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR035516", + "target": "GO:0006260" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR013760", + "target": "GO:0006260" + }, + { + "key": "in taxon", + "source": "GO:0006260", + "target": "taxonomy:2104" + }, + { + "key": "causes", + "source": "taxonomy:2104", + "target": "MONDO:0006668" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D064704", + "label": "Drug", + "name": "levofloxacin" + }, + { + "id": "InterPro:IPR035516", + "label": "GeneFamily", + "name": "DNA gyrase/topoisomerase IV, subunit A, C-terminal" + }, + { + "id": "InterPro:IPR013760", + "label": "GeneFamily", + "name": "DNA topoisomerase, type IIA-like domain superfamily" + }, + { + "id": "GO:0006260", + "label": "BiologicalProcess", + "name": "Bacterial DNA replication" + }, + { + "id": "taxonomy:2104", + "label": "OrganismTaxon", + "name": "Mycoplasma pneumoniae" + }, + { + "id": "MESH:D003234", + "label": "Disease", + "name": "Pneumonia due to Mycoplasma pneumoniae" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01137#mechanism-of-action", + "https://en.wikipedia.org/wiki/Levofloxacin#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Conjunctivitis#Bacterial" + ] + }, + { + "comment": "This drug is used in combination with dalfopristin. Both interfere with the bacterial protein synthesis, at different stages of the translation. Quinupristin inhibits the late phase of protein synthesis, whereas dalfopristin inhibits the early phase of protein synthesis in the bacterial ribosome. In combination, both drugs are more effective than each used individually (https://go.drugbank.com/drugs/DB01369#description).", + "directed": true, + "graph": { + "_id": "DB01369_MESH_D013290_1", + "disease": "Streptococcus pyogenes infection", + "disease_mesh": "MONDO:0021680", + "drug": "quinupristin", + "drug_mesh": "CHEBI:8732", + "drugbank": "DB:DB01369" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:8732", + "target": "MESH:D054681" + }, + { + "key": "negatively regulates", + "source": "CHEBI:8732", + "target": "Pfam:PF00466" + }, + { + "key": "negatively regulates", + "source": "CHEBI:8732", + "target": "Pfam:PF00237" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00466", + "target": "GO:0006412" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00237", + "target": "GO:0006412" + }, + { + "key": "location of", + "source": "MESH:D054681", + "target": "GO:0000048" + }, + { + "key": "positively correlated with", + "source": 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"target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "CHEBI:26333" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0002829" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MONDO:0005178" + }, + { + "key": "positively correlated with", + "source": "HP:0002829", + "target": "MONDO:0005178" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000077430", + "label": "Drug", + "name": "Nabumetone" + }, + { + "id": "CHEBI:35628", + "label": "ChemicalSubstance", + "name": "(6-methoxy-2-naphthyl)acetic acid" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "HP:0002829", + "label": "PhenotypicFeature", + "name": "Arthralgia" + }, + { + "id": "MESH:D010003", + "label": "Disease", + "name": "Osteoarthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00461#mechanism-of-action", + "https://en.wikipedia.org/wiki/Nabumetone", + "https://www.uniprot.org/uniprot/P23219#function", + "https://www.uniprot.org/uniprot/P35354#function", + "https://en.wikipedia.org/wiki/Osteoarthritis" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00461_MESH_D001172_1", + "disease": "Arthritis, Rheumatoid", + "disease_mesh": "MONDO:0008383", + "drug": "Nabumetone", + "drug_mesh": "CHEBI:7443", + "drugbank": "DB:DB00461" + }, + "links": [ + { + "key": "produces", + "source": "CHEBI:7443", + "target": "CHEBI:35628" + }, + { + "key": "decreases activity of", + "source": "CHEBI:35628", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "CHEBI:35628", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "CHEBI:26333" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0002829" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MONDO:0008383" + }, + { + "key": "positively correlated with", + "source": "HP:0002829", + "target": "MONDO:0008383" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000077430", + "label": "Drug", + "name": "Nabumetone" + }, + { + "id": "CHEBI:35628", + "label": "ChemicalSubstance", + "name": "(6-methoxy-2-naphthyl)acetic acid" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "HP:0002829", + "label": "PhenotypicFeature", + "name": "Arthralgia" + }, + { + "id": "MESH:D001172", + "label": "Disease", + "name": "Arthritis, Rheumatoid" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00461#mechanism-of-action", + "https://en.wikipedia.org/wiki/Nabumetone", + "https://www.uniprot.org/uniprot/P23219#function", + "https://www.uniprot.org/uniprot/P35354#function", + "https://en.wikipedia.org/wiki/Rheumatoid_arthritis" + ] + }, + { + "comment": "The activation of Atrial natriuretic peptide receptor 1 has been observed in vitro (https://pubmed.ncbi.nlm.nih.gov/12890708/) and it's reported in DrugBank whereas ChEMBL favours the Soluble Guanylyl Cyclase route. Also note that when the drug is admnistered at low doses, it dilates veins and reduces the volume of blood in the heart after filling (this is supposedly the main mechanism of action). At higher doses, it dilates arteries as well.", + "directed": true, + "graph": { + "_id": "DB00727_MESH_D000787_1", + "disease": "Angina pectoris", + "disease_mesh": "HP:0001681", + "drug": "glyceryl trinitrate", + "drug_mesh": "CHEBI:28787", + "drugbank": "DB:DB00727" + }, + "links": [ + { + "key": "produces", + "source": "CHEBI:28787", + "target": "CHEBI:16480" + }, + { + "key": "positively regulates", + "source": "CHEBI:16480", + "target": "GO:0038060" + }, + { + "key": "positively correlated with", + "source": "GO:0038060", + "target": "GO:0042311" + }, + { + "key": "positively regulates", + "source": "CHEBI:16480", + "target": "UniProt:P16066" + }, + { + "key": "positively regulates", + "source": "UniProt:P16066", + "target": "GO:0007168" + }, + { + "key": "positively correlated with", + "source": "GO:0007168", + "target": "GO:0042311" + }, + { + "key": "negatively correlated with", + "source": "GO:0042311", + "target": "HP:0001681" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_names": [ + "Nitroglycerin" + ], + "id": "MESH:D005996", + "label": "Drug", + "name": "glyceryl trinitrate" + }, + { + "id": "CHEBI:16480", + "label": "ChemicalSubstance", + "name": "nitric oxide" + }, + { + "id": "UniProt:P16066", + "label": "Protein", + "name": "Atrial natriuretic peptide receptor 1" + }, + { + "id": "GO:0038060", + "label": "BiologicalProcess", + "name": "nitric oxide-cGMP-mediated signaling pathway" + }, + { + "id": "GO:0007168", + "label": "BiologicalProcess", + "name": "receptor guanylyl cyclase signaling pathway" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D000787", + "label": "Disease", + "name": "Angina pectoris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00727#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL730/", + "https://en.wikipedia.org/wiki/Nitroglycerin#Medical_use" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01280_MESH_D054218_1", + "disease": "T-cell acute lymphoblastic leukemia", + "disease_mesh": "MONDO:0004963", + "drug": "nelarabine", + "drug_mesh": "CHEBI:63612", + "drugbank": "DB:DB01280" + }, + "links": [ + { + "key": "produces", + "source": "CHEBI:63612", + "target": "PUBCHEM.COMPOUND:135544356" + }, + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:135544356", + "target": "UniProt:P09884" + }, + { + "key": "positively regulates", + "source": "UniProt:P09884", + "target": "GO:0006260" + }, + { + "key": "positively correlated with", + "source": "GO:0006260", + "target": "HP:0031379" + }, + { + "key": "prevents", + "source": "PUBCHEM.COMPOUND:135544356", + "target": "GO:0090592" + }, + { + "key": "positively correlated with", + "source": "GO:0090592", + "target": "HP:0031379" + }, + { + "key": "positively correlated with", + "source": "HP:0031379", + "target": "MONDO:0004963" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C104457", + "label": "Drug", + "name": "nelarabine" + }, + { + "id": "MESH:C022206", + "label": "ChemicalSubstance", + "name": "9-beta-D-arabinofuranosylguanosine 5'-triphosphate" + }, + { + "id": "UniProt:P09884", + "label": "Protein", + "name": "DNA polymerase alpha catalytic subunit" + }, + { + "id": "GO:0090592", + "label": "BiologicalProcess", + "name": "DNA synthesis involved in DNA replication" + }, + { + "id": "GO:0006260", + "label": "BiologicalProcess", + "name": "DNA replication" + }, + { + "id": "HP:0031379", + "label": "PhenotypicFeature", + "name": "Abnormal T cell proliferation" + }, + { + "id": "MESH:D054218", + "label": "Disease", + "name": "T-cell acute lymphoblastic leukemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01280#mechanism-of-action", + "https://en.wikipedia.org/wiki/Nelarabine" + ] + }, + { + "comment": "There appears to be no connection between Niacin deficiency and nicotine. Although niacin and nicotine are somehow related (nicotine can turn into nicotinic acid via oxidation), nicotine may not be able to replace niacin as treatment for Niacin deficiency. Actually nicotine could compete with niacin for binding sites in the enzymes necessary for vitamin B3 metabolism, and therefore would decrease the amount of B3 available for the cells.", + "directed": true, + "graph": { + "_id": "DB00184_MESH_D010383_1", + "disease": "Niacin deficiency", + "disease_mesh": "MONDO:0019975", + "drug": "nicotine", + "drug_mesh": "CHEBI:17688", + "drugbank": "DB:DB00184" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:17688", + "target": "MONDO:0019975" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:D061485" + ], + "id": "MESH:D009538", + "label": "Drug", + "name": "nicotine" + }, + { + "id": "MESH:D010383", + "label": "Disease", + "name": "Niacin deficiency" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00184#indication", + "https://en.wikipedia.org/wiki/Nicotine#Biosynthesis", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL3/", + "https://hopes.stanford.edu/nicotinamide/#relationship-between-nicotinamide-and-nicotine" + ] + }, + { + "comment": "Both DrugBank (https://go.drugbank.com/drugs/DB06718#mechanism-of-action) and ChEMBL (https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL2079587/) have this drug modulating target AR (UniProt:P10275) but that's not the mechanism of action for this indication (MESH:D054179).", + "directed": true, + "graph": { + "_id": "DB06718_MESH_D054179_1", + "disease": "Hereditary angioneurotic edema", + "disease_mesh": "MONDO:0019623", + "drug": "stanozolol", + "drug_mesh": "CHEBI:9249", + "drugbank": "DB:DB06718" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:9249", + "target": "UniProt:P05155" + }, + { + "key": "negatively regulates", + "source": "UniProt:P05155", + "target": "GO:0006956" + }, + { + "key": "positively correlated with", + "source": "GO:0006956", + "target": "Pfam:PF06753" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P05155", + "target": "MESH:D007610" + }, + { + "key": "positively correlated with", + "source": "MESH:D007610", + "target": "Pfam:PF06753" + }, + { + "key": "positively correlated with", + "source": "Pfam:PF06753", + "target": "MESH:D002199" + }, + { + "key": "positively correlated with", + "source": "Pfam:PF06753", + "target": "GO:0042311" + }, + { + "key": "positively correlated with", + "source": "MESH:D002199", + "target": "MONDO:0019623" + }, + { + "key": "positively correlated with", + "source": "GO:0042311", + "target": "MONDO:0019623" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013197", + "label": "Drug", + "name": "stanozolol" + }, + { + "id": "UniProt:P05155", + "label": "Protein", + "name": "Plasma protease C1 inhibitor" + }, + { + "id": "GO:0006956", + "label": "BiologicalProcess", + "name": "complement activation" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D007610", + "label": "GeneFamily", + "name": "Kallikreins" + }, + { + "id": "Pfam:PF06753", + "label": "GeneFamily", + "name": "Bradykinin" + }, + { + "id": "MESH:D002199", + "label": "BiologicalProcess", + "name": "Capillary Permeability" + }, + { + "id": "MESH:D054179", + "label": "Disease", + "name": "Hereditary angioneurotic edema" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/C1-inhibitor", + "https://en.wikipedia.org/wiki/Bradykinin", + "https://en.wikipedia.org/wiki/Kallikrein", + "https://en.wikipedia.org/wiki/Kinin%E2%80%93kallikrein_system#C1-INH_Involvement", + "https://en.wikipedia.org/wiki/Hereditary_angioedema", + "https://en.wikipedia.org/wiki/Complement_system#Regulation", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3666183/" + ] + }, + { + "comments": "Marketing for this drug has been discontinued and is not available in North America due to its likely carcinogenic potential and cytotoxic properties.", + "directed": true, + "graph": { + "_id": "DB06718_MESH_D006470_1", + "disease": "Hemorrhage", + "disease_mesh": "NCIT:C26791", + "drug": "menadiol sodium diphosphate", + "drug_mesh": null, + "drugbank": "DB:DB06718" + }, + "links": [ + { + "key": "positively regulates", + "source": "DB:DB06718", + "target": "UniProt:P00734" + }, + { + "key": "positively regulates", + "source": "DB:DB06718", + "target": "UniProt:P08709" + }, + { + "key": "positively regulates", + "source": "DB:DB06718", + "target": "UniProt:P00740" + }, + { + "key": "positively regulates", + "source": "DB:DB06718", + "target": "UniProt:P00742" + }, + { + "key": "positively regulates", + "source": "DB:DB06718", + "target": "UniProt:P04070" + }, + { + "key": "positively regulates", + "source": "DB:DB06718", + "target": "UniProt:P38435" + }, + { + "key": "positively regulates", + "source": "DB:DB06718", + "target": "UniProt:P07225" + }, + { + "key": "regulates", + "source": "UniProt:P07225", + "target": "GO:0007596" + }, + { + "key": "positively regulates", + "source": "UniProt:P38435", + "target": "GO:0007596" + }, + { + "key": "regulates", + "source": "UniProt:P04070", + "target": "GO:0007596" + }, + { + "key": "positively regulates", + "source": "UniProt:P00742", + "target": "GO:0007596" + }, + { + "key": "positively regulates", + "source": "UniProt:P00740", + "target": "GO:0007596" + }, + { + "key": "positively regulates", + "source": "UniProt:P08709", + "target": "GO:0007596" + }, + { + "key": "positively regulates", + "source": "UniProt:P00734", + "target": "GO:0007596" + }, + { + "key": "negatively correlated with", + "source": "GO:0007596", + "target": "NCIT:C26791" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB06718", + "label": "Drug", + "name": "menadiol sodium diphosphate" + }, + { + "id": "UniProt:P00734", + "label": "Protein", + "name": "Prothrombin" + }, + { + "id": "UniProt:P08709", + "label": "Protein", + "name": "Coagulation factor VII" + }, + { + "id": "UniProt:P00740", + "label": "Protein", + "name": "Coagulation factor IX" + }, + { + "id": "UniProt:P00742", + "label": "Protein", + "name": "Coagulation factor X" + }, + { + "id": "UniProt:P04070", + "label": "Protein", + "name": "Vitamin K-dependent protein C" + }, + { + "id": "UniProt:P38435", + "label": "Protein", + "name": "Vitamin K-dependent gamma-carboxylase" + }, + { + "id": "UniProt:P07225", + "label": "Protein", + "name": "Vitamin K-dependent protein S" + }, + { + "id": "GO:0007596", + "label": "BiologicalProcess", + "name": "blood coagulation" + }, + { + "id": "MESH:D006470", + "label": "Disease", + "name": "Hemorrhage" + } + ], + "reference": [ + "https://journals.sagepub.com/doi/abs/10.3181/00379727-37-9668P", + "https://www.medicalnewstoday.com/articles/165749#complications", + "https://en.wikipedia.org/wiki/Vitamin_K#History" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06718_MESH_D010673_1", + "disease": "Pheochromocytoma", + "disease_mesh": "MONDO:0008233", + "drug": "phenoxybenzamine", + "drug_mesh": "CHEBI:8077", + "drugbank": "DB:DB06718" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:8077", + "target": "UniProt:P35348" + }, + { + "key": "decreases activity of", + "source": "CHEBI:8077", + "target": "UniProt:P08913" + }, + { + "key": "decreases activity of", + "source": "CHEBI:8077", + "target": "UniProt:P18825" + }, + { + "key": "decreases activity of", + "source": "CHEBI:8077", + "target": "UniProt:P25100" + }, + { + "key": "decreases activity of", + "source": "CHEBI:8077", + "target": "UniProt:P35368" + }, + { + "key": "decreases activity of", + "source": "CHEBI:8077", + "target": "UniProt:P18089" + }, + { + "key": "positively regulates", + "source": "UniProt:P35348", + "target": "GO:0042310" + }, + { + "key": "regulates", + "source": "UniProt:P08913", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "UniProt:P18825", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "UniProt:P25100", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "UniProt:P35368", + "target": "GO:0042310" + }, + { + "key": "positively regulates", + "source": "UniProt:P18089", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "MESH:D014655" + }, + { + "key": "positively correlated with", + "source": "MESH:D014655", + "target": "HP:0002640" + }, + { + "key": "manifestation of", + "source": "HP:0002640", + "target": "MONDO:0008233" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010643", + "label": "Drug", + "name": "phenoxybenzamine" + }, + { + "id": "UniProt:P35348", + "label": "Protein", + "name": "Alpha-1A adrenergic receptor" + }, + { + "id": "UniProt:P08913", + "label": "Protein", + "name": "Alpha-2A adrenergic receptor" + }, + { + "id": "UniProt:P18825", + "label": "Protein", + "name": "Alpha-2C adrenergic receptor" + }, + { + "id": "UniProt:P25100", + "label": "Protein", + "name": "Alpha-1D adrenergic receptor" + }, + { + "id": "UniProt:P18089", + "label": "Protein", + "name": "Alpha-2B adrenergic receptor" + }, + { + "id": "UniProt:P35368", + "label": "Protein", + "name": "Alpha-1B adrenergic receptor" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "MESH:D014655", + "label": "BiologicalProcess", + "name": "Vascular Resistance" + }, + { + "id": "HP:0002640", + "label": "PhenotypicFeature", + "name": "Hypertension associated with pheochromocytoma" + }, + { + "id": "MESH:D010673", + "label": "Disease", + "name": "Pheochromocytoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00925#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL753/", + "https://en.wikipedia.org/wiki/Alpha_blocker#Hypertension", + "https://en.wikipedia.org/wiki/Phenoxybenzamine#Pharmacology", + "https://en.wikipedia.org/wiki/Pheochromocytoma#Alpha_blockade" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00184_MESH_D014029_1", + "disease": "Nicotine dependence", + "disease_mesh": "MONDO:0008575", + "drug": "nicotine", + "drug_mesh": "CHEBI:17688", + "drugbank": "DB:DB00184" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:17688", + "target": "MESH:D011950" + }, + { + "key": "participates in", + "source": "MESH:D011950", + "target": "reactome:R-HSA-629587\ufeff" + }, + { + "key": "participates in", + "source": "MESH:D011950", + "target": "reactome:R-HSA-629594\ufeff" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-629587\ufeff", + "target": "GO:0051899" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-629594\ufeff", + "target": "GO:0051899" + }, + { + "key": "positively correlated with", + "source": "GO:0051899", + "target": "GO:0014046" + }, + { + "key": "positively correlated with", + "source": "GO:0014046", + "target": "HP:0030858" + }, + { + "key": "positively correlated with", + "source": 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Please note this drug had 2 DrugBank IDs in the Drug Centarl, DB00584 and DB09477. The DB09477 is ID for Enalapril, which has been previously curated.", + "directed": true, + "graph": { + "_id": "DB00584_MESH_D006333_1", + "disease": "Congestive heart failure", + "disease_mesh": "MONDO:0005252", + "drug": "Enalapril", + "drug_mesh": "CHEBI:4784", + "drugbank": "DB:DB00584" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:4784", + "target": "PUBCHEM.COMPOUND:6917719" + }, + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:6917719", + "target": "UniProt:P12821" + }, + { + "key": "increases abundance of", + "source": "UniProt:P12821", + "target": "CHEBI:2719" + }, + { + "key": "causes", + "source": "CHEBI:2719", + "target": "GO:0070294" + }, + { + "key": "causes", + "source": "CHEBI:2719", + "target": "MESH:D014661" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0045777" + }, + { + "key": "affects risk for", + "source": "GO:0045777", + "target": "MONDO:0005044" + }, + { + "key": "contributes to", + "source": "MESH:D014661", + "target": "MONDO:0005044" + }, + { + "key": "affects risk for", + "source": "MONDO:0005044", + "target": "MONDO:0005252" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004656", + "label": "Drug", + "name": "Enalapril" + }, + { + "id": "MESH:D015773", + "label": "Drug", + "name": "Enalaprilat" + }, + { + "id": "UniProt:P12821", + "label": "Protein", + "name": "Angiotensin-converting enzyme" + }, + { + "id": "MESH:D000804", + "label": "ChemicalSubstance", + "name": "Angiotensin II" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "Renal sodium ion absorption" + }, + { + "id": "GO:0045777", + "label": "BiologicalProcess", + "name": "Positive regulation of blood pressure" + }, + { + "id": "MESH:D014661", + "label": "Disease", + "name": "Vasoconstriction" + }, + { + "id": "HP:0000822", + "label": "PhenotypicFeature", + "name": "Hypertension" + }, + { + "id": "MESH:D006333", + "label": "Disease", + "name": "Congestive heart failure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00584", + "https://en.wikipedia.org/wiki/Heart_failure" + ] + }, + { + "comment": "Being a prodrug, enalapril is rapidly biotransformed into its active metabolite, enalaprilat. Please note this drug had 2 DrugBank IDs in the Drug Centarl, DB00584 and DB09477. The DB09477 is ID for Enalapril, which has been previously curated.", + "directed": true, + "graph": { + "_id": "DB00584_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MONDO:0005044", + "drug": "Enalapril", + "drug_mesh": "CHEBI:4784", + "drugbank": "DB:DB00584" + }, + "links": [ + { + "key": "produces", + "source": "CHEBI:4784", + "target": "PUBCHEM.COMPOUND:6917719" + }, + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:6917719", + "target": "UniProt:P12821" + }, + { + "key": "increases abundance of", + "source": "UniProt:P12821", + "target": "CHEBI:2719" + }, + { + "key": "causes", + "source": "CHEBI:2719", + "target": "GO:0070294" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0003092" + }, + { + "key": "contributes to", + "source": "GO:0003092", + "target": "GO:0045777" + }, + { + "key": "affects risk for", + "source": "GO:0045777", + "target": "MONDO:0005044" + }, + { + "key": "causes", + "source": "CHEBI:2719", + "target": "MESH:D014661" + }, + { + "key": "contributes to", + "source": "MESH:D014661", + "target": "MONDO:0005044" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004656", + "label": "Drug", + "name": "Enalapril" + }, + { + "id": "MESH:D015773", + "label": "Drug", + "name": "Enalaprilat" + }, + { + "id": "UniProt:P12821", + "label": "Protein", + "name": "Angiotensin-converting enzyme" + }, + { + "id": "MESH:D000804", + "label": "ChemicalSubstance", + "name": "Angiotensin II" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "Renal sodium ion absorption" + }, + { + "id": "GO:0003092", + "label": "BiologicalProcess", + "name": "Renal water retention" + }, + { + "id": "GO:0045777", + "label": "BiologicalProcess", + "name": "Positive regulation of blood pressure" + }, + { + "id": "MESH:D014661", + "label": "Disease", + "name": "Vasoconstriction" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00584", + "https://go.drugbank.com/drugs/DB09477#BE0000221" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00548_MESH_D012393_1", + "disease": "Rosacea", + "disease_mesh": "MONDO:0006604", + "drug": "azelaic acid", + "drug_mesh": "CHEBI:48131", + "drugbank": "DB:DB00548" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:48131", + "target": "CHEBI:26523" + }, + { + "key": "positively regulates", + "source": "CHEBI:26523", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "HP:0010783" + }, + { + "key": "positively correlated with", + "source": "HP:0010783", + "target": "MONDO:0006604" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C010038", + "label": "Drug", + "name": "azelaic acid" + }, + { + "id": "MESH:D017382", + "label": "ChemicalSubstance", + "name": "Reactive Oxygen Species" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "HP:0010783", + "label": "PhenotypicFeature", + "name": "Erythema" + }, + { + "id": "MESH:D012393", + "label": "Disease", + "name": "Rosacea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00548#mechanism-of-action", + "https://www.hindawi.com/journals/omcl/2020/1295984/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2958186/", + "https://en.wikipedia.org/wiki/Rosacea" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00548_MESH_D000152_2", + "disease": "Acne Vulgaris", + "disease_mesh": "MONDO:0011438", + "drug": "azelaic acid", + "drug_mesh": "CHEBI:48131", + "drugbank": "DB:DB00548" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:48131", + "target": "InterPro:IPR043502" + }, + { + "key": "decreases activity of", + "source": "CHEBI:48131", + "target": "InterPro:IPR005982" + }, + { + "key": "decreases activity of", + "source": "CHEBI:48131", + "target": "InterPro:IPR002227" + }, + { + "key": "decreases activity of", + "source": "CHEBI:48131", + "target": "InterPro:IPR001104" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR043502", + "target": "GO:0008283" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005982", + "target": "GO:0008283" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR002227", + "target": "GO:0008283" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001104", + "target": "GO:0008283" + }, + { + "key": "in taxon", + "source": "GO:0008283", + "target": "taxonomy:1747" + }, + { + "key": "causes", + "source": "taxonomy:1747", + "target": "MONDO:0011438" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C010038", + "label": "Drug", + "name": "azelaic acid" + }, + { + "id": "InterPro:IPR043502", + "label": "GeneFamily", + "name": "DNA/RNA polymerase superfamily" + }, + { + "id": "InterPro:IPR005982", + "label": "GeneFamily", + "name": "Thioredoxin reductase" + }, + { + "id": "InterPro:IPR002227", + "label": "GeneFamily", + "name": "Tyrosinase copper-binding domain" + }, + { + "id": "InterPro:IPR001104", + "label": "GeneFamily", + "name": "3-oxo-5-alpha-steroid 4-dehydrogenase, C-terminal" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "taxonomy:1747", + "label": "OrganismTaxon", + "name": "Cutibacterium acnes" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne Vulgaris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00548#mechanism-of-action", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6560440/", + "https://en.wikipedia.org/wiki/Acne" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01415_MESH_D014069_1", + "disease": "Tonsillitis", + "disease_mesh": "MONDO:0001039", + "drug": "Ceftibuten", + "drug_mesh": "CHEBI:3510", + "drugbank": "DB:DB01415" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:3510", + "target": "InterPro:IPR001460" + }, + { + "key": "participates in", + "source": "InterPro:IPR001460", + "target": "GO:0009252" + }, + { + "key": "positively regulates", + "source": "GO:0009252", + "target": "GO:0009273" + }, + { + "key": "occurs in", + "source": "GO:0009273", + "target": "taxonomy:1301" + }, + { + "key": "causes", + "source": "taxonomy:1301", + "target": "MONDO:0001039" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000077722", + "label": "Drug", + "name": "Ceftibuten" + }, + { + "id": "InterPro:IPR001460", + "label": "GeneFamily", + "name": "Penicillin-binding protein, transpeptidase" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0009273", + "label": "BiologicalProcess", + "name": "peptidoglycan-based cell wall biogenesis" + }, + { + "id": "taxonomy:1301", + "label": "OrganismTaxon", + "name": "Streptococcus" + }, + { + "id": "MESH:D014069", + "label": "Disease", + "name": "Tonsillitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01415#mechanism-of-action", + "https://en.wikipedia.org/wiki/Tonsillitis" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01415_MESH_D013290_1", + "disease": "Streptococcal Infections", + "disease_mesh": "MONDO:0021680", + "drug": "Ceftibuten", + "drug_mesh": "CHEBI:3510", + "drugbank": "DB:DB01415" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:3510", + "target": "InterPro:IPR001460" + }, + { + "key": "participates in", + "source": "InterPro:IPR001460", + "target": "GO:0009252" + }, + { + "key": "positively regulates", + "source": "GO:0009252", + "target": "GO:0009273" + }, + { + "key": "occurs in", + "source": "GO:0009273", + "target": "taxonomy:1301" + }, + { + "key": "causes", + "source": "taxonomy:1301", + "target": "MONDO:0021680" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000077722", + "label": "Drug", + "name": "Ceftibuten" + }, + { + "id": "InterPro:IPR001460", + "label": "GeneFamily", + "name": "Penicillin-binding protein, transpeptidase" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "GO:0009273", + "label": "BiologicalProcess", + "name": "peptidoglycan-based cell wall biogenesis" + }, + { + "id": "taxonomy:1301", + "label": "OrganismTaxon", + "name": "Streptococcus" + }, + { + "id": "MESH:D013290", + "label": "Disease", + "name": "Streptococcal Infections" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01415#mechanism-of-action", + "https://en.wikipedia.org/wiki/Group_A_streptococcal_infection", + "https://en.wikipedia.org/wiki/Group_B_streptococcal_infection" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01501_MESH_D003967_1", + "disease": "Diarrhea", + "disease_mesh": "MONDO:0001673", + "drug": "difenoxin", + "drug_mesh": "CHEBI:4534", + "drugbank": "DB:DB01501" + }, + "links": [ + { + "key": "is metabolite of", + "source": "CHEBI:4534", + "target": "PUBCHEM.COMPOUND:174173" + }, + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:174173", + "target": "UniProt:P35372" + }, + { + "key": "negatively regulates", + "source": "UniProt:P35372", + "target": "GO:0030432" + }, + { + "key": "positively correlated with", + "source": "GO:0030432", + "target": "HP:0100770" + }, + { + "key": "contributes to", + "source": "HP:0100770", + "target": "MONDO:0001673" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C100010", + "label": "Drug", + "name": "difenoxin" + }, + { + "id": "MESH:C028792", + "label": "ChemicalSubstance", + "name": "Lyspafen" + }, + { + "id": "UniProt:P35372", + "label": "Protein", + "name": "Mu-type opioid receptor" + }, + { + "id": "GO:0030432", + "label": "BiologicalProcess", + "name": "peristalsis" + }, + { + "id": "HP:0100770", + "label": "PhenotypicFeature", + "name": "Hyperperistalsis" + }, + { + "id": "MESH:D003967", + "label": "Disease", + "name": "Diarrhea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01501#mechanism-of-action", + "https://drugs.ncats.io/substances?q=%22DIFENOXIN%22", + "https://www.uniprot.org/uniprot/P35372#function", + "https://en.wikipedia.org/wiki/Diarrhea" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00644_MESH_D000568_1", + "disease": "Amenorrhea", + "disease_mesh": "MONDO:0001836", + "drug": "Gonadotropin-Releasing Hormone", + "drug_mesh": "PUBCHEM.COMPOUND:36523", + "drugbank": "DB:DB00644" + }, + "links": [ + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:36523", + "target": "UniProt:P30968" + }, + { + "key": "positively regulates", + "source": "UniProt:P30968", + "target": "GO:0032274" + }, + { + "key": "positively correlated with", + "source": "GO:0032274", + "target": "CHEBI:81569" + }, + { + "key": "positively correlated with", + "source": "GO:0032274", + "target": "UNII:8XA4VN1LH4" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:81569", + "target": "MONDO:0001836" + }, + { + "key": "negatively correlated with", + "source": "UNII:8XA4VN1LH4", + "target": "MONDO:0001836" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007987", + "label": "Drug", + "name": "Gonadotropin-Releasing Hormone" + }, + { + "id": "UniProt:P30968", + "label": "Protein", + "name": "Gonadotropin-releasing hormone receptor" + }, + { + "id": "GO:0032274", + "label": "BiologicalProcess", + "name": "gonadotropin secretion" + }, + { + "id": "MESH:D005640", + "label": "ChemicalSubstance", + "name": "Follicle Stimulating Hormone" + }, + { + "id": "MESH:D007986", + "label": "ChemicalSubstance", + "name": "Luteinizing Hormone" + }, + { + "id": "MESH:D000568", + "label": "Disease", + "name": "Amenorrhea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00644#mechanism-of-action", + "https://www.uniprot.org/uniprot/P30968#function", + "https://en.wikipedia.org/wiki/Amenorrhea" + ] + }, + { + "comment": "Icosapent ethyl is an ethyl ester of eicosapentaenoic acid, which is used to treat hypertriglyceridemia.", + "directed": true, + "graph": { + "_id": "DB08887_MESH_D015228_1", + "disease": "Hypertriglyceridemia", + "disease_mesh": "MONDO:0005347", + "drug": "Icosapent ethyl", + "drug_mesh": "MESH:null", + "drugbank": "DB:DB08887" + }, + "links": [ + { + "key": "positively regulates", + "source": "DB:DB08887", + "target": "GO:0006635" + }, + { + "key": "negatively regulates", + "source": "DB:DB08887", + "target": "GO:0008610" + }, + { + "key": "decreases activity of", + "source": "DB:DB08887", + "target": "UniProt:O75907" + }, + { + "key": "increases activity of", + "source": "DB:DB08887", + "target": "UniProt:P06858" + }, + { + "key": "negatively correlated with", + "source": "GO:0006635", + "target": "GO:0019915" + }, + { + "key": "positively correlated with", + "source": "GO:0008610", + "target": "GO:0019915" + }, + { + "key": "positively regulates", + "source": "UniProt:O75907", + "target": "GO:0019915" + }, + { + "key": "negatively regulates", + "source": "UniProt:P06858", + "target": "GO:0019915" + }, + { + "key": "positively correlated with", + "source": "GO:0019915", + "target": "CHEBI:17855" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17855", + "target": "MONDO:0005347" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB08887", + "label": "Drug", + "name": "Icosapent ethyl" + }, + { + "id": "GO:0006635", + "label": "BiologicalProcess", + "name": "fatty acid beta-oxidation" + }, + { + "id": "GO:0008610", + "label": "BiologicalProcess", + "name": "lipid biosynthetic process" + }, + { + "id": "UniProt:O75907", + "label": "Protein", + "name": "Diacylglycerol O-acyltransferase 1" + }, + { + "id": "UniProt:P06858", + "label": "Protein", + "name": "Lipoprotein lipase" + }, + { + "id": "GO:0019915", + "label": "BiologicalProcess", + "name": "lipid storage" + }, + { + "id": "MESH:D014280", + "label": "ChemicalSubstance", + "name": "Triglycerides" + }, + { + "id": "MESH:D015228", + "label": "Disease", + "name": "Hypertriglyceridemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08887#mechanism-of-action", + "https://www.uniprot.org/uniprot/O75907#function", + "https://www.uniprot.org/uniprot/P06858#function", + "https://en.wikipedia.org/wiki/Hypertriglyceridemia" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00627_MESH_D001361_1", + "disease": "Avitaminosis", + "disease_mesh": "MONDO:0024298", + "drug": "Niacin", + "drug_mesh": "CHEBI:15940", + "drugbank": "DB:DB00627" + }, + "links": [ + { + "key": "negatively correlated with", + "source": "CHEBI:15940", + "target": "MONDO:0019975" + }, + { + "key": "positively correlated with", + "source": "MONDO:0019975", + "target": "MONDO:0024298" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009525", + "label": "Drug", + "name": "Niacin" + }, + { + "id": "HP:0100497", + "label": "PhenotypicFeature", + "name": "Vitamin B3 deficiency" + }, + { + "id": "MESH:D001361", + "label": "Disease", + "name": "Avitaminosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00627#mechanism-of-action", + "https://en.wikipedia.org/wiki/Vitamin_deficiency" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00627_MESH_D015228_1", + "disease": "Hypertriglyceridemia", + "disease_mesh": "MONDO:0005347", + "drug": "Niacin", + "drug_mesh": "CHEBI:15940", + "drugbank": "DB:DB00627" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:15940", + "target": "UniProt:O75907" + }, + { + "key": "decreases activity of", + "source": "CHEBI:15940", + "target": "UniProt:P04114" + }, + { + "key": "increases activity of", + "source": "CHEBI:15940", + "target": "UniProt:P06858" + }, + { + "key": "positively regulates", + "source": "UniProt:O75907", + "target": "GO:0019432" + }, + { + "key": "positively regulates", + "source": 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"name": "triglyceride catabolic process" + }, + { + "id": "MESH:D014280", + "label": "ChemicalSubstance", + "name": "Triglycerides" + }, + { + "id": "MESH:D015228", + "label": "Disease", + "name": "Hypertriglyceridemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00627#mechanism-of-action", + "https://www.uniprot.org/uniprot/O75907#function", + "https://www.uniprot.org/uniprot/P06858#function", + "https://www.uniprot.org/uniprot/P04114#function", + "https://en.wikipedia.org/wiki/Hypertriglyceridemia" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00627_MESH_D006950_1", + "disease": "Hyperlipidemia, Familial Combined", + "disease_mesh": "MONDO:0007759", + "drug": "Niacin", + "drug_mesh": "CHEBI:15940", + "drugbank": "DB:DB00627" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:15940", + "target": "UniProt:O75907" + }, + { + "key": "decreases activity of", + "source": "CHEBI:15940", + "target": "UniProt:P04114" + }, + { + "key": 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"id": "UniProt:P02647", + "label": "Protein", + "name": "Apolipoprotein A-I" + }, + { + "id": "UniProt:P04114", + "label": "Protein", + "name": "Apolipoprotein B-100" + }, + { + "id": "GO:0019432", + "label": "BiologicalProcess", + "name": "triglyceride biosynthetic process" + }, + { + "id": "GO:0034380", + "label": "BiologicalProcess", + "name": "high-density lipoprotein particle assembly" + }, + { + "id": "MESH:D014280", + "label": "ChemicalSubstance", + "name": "Triglycerides" + }, + { + "id": "MESH:D008075", + "label": "ChemicalSubstance", + "name": "Lipoproteins, HDL" + }, + { + "id": "MESH:D006950", + "label": "Disease", + "name": "Hyperlipidemia, Familial Combined" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00627#mechanism-of-action", + "https://www.uniprot.org/uniprot/O75907#function", + "https://www.uniprot.org/uniprot/P02647#function", + "https://www.uniprot.org/uniprot/P04114#function", + "https://en.wikipedia.org/wiki/Combined_hyperlipidemia" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00627_MESH_D006937_1", + "disease": "Hypercholesterolemia", + "disease_mesh": "HP:0003124", + "drug": "Niacin", + "drug_mesh": "CHEBI:15940", + "drugbank": "DB:DB00627" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:15940", + "target": "UniProt:P11597" + }, + { + "key": "increases activity of", + "source": "CHEBI:15940", + "target": "UniProt:P02647" + }, + { + "key": "positively regulates", + "source": "UniProt:P11597", + "target": "GO:0034379" + }, + { + "key": "positively regulates", + "source": "UniProt:P02647", + "target": "GO:0034380" + }, + { + "key": "increases abundance of", + "source": "GO:0034379", + "target": "MESH:D008079" + }, + { + "key": "increases abundance of", + "source": "GO:0034380", + "target": "MESH:D008075" + }, + { + "key": "positively correlated with", + "source": "MESH:D008079", + "target": "HP:0003124" + }, + { + "key": "negatively correlated with", + "source": "MESH:D008075", + "target": "HP:0003124" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009525", + "label": "Drug", + "name": "Niacin" + }, + { + "id": "UniProt:P11597", + "label": "Protein", + "name": "Cholesteryl ester transfer protein" + }, + { + "id": "UniProt:P02647", + "label": "Protein", + "name": "Apolipoprotein A-I" + }, + { + "id": "GO:0034379", + "label": "BiologicalProcess", + "name": "very-low-density lipoprotein particle assembly" + }, + { + "id": "GO:0034380", + "label": "BiologicalProcess", + "name": "high-density lipoprotein particle assembly" + }, + { + "id": "MESH:D008079", + "label": "ChemicalSubstance", + "name": "Lipoproteins, VLDL" + }, + { + "id": "MESH:D008075", + "label": "ChemicalSubstance", + "name": "Lipoproteins, HDL" + }, + { + "id": "MESH:D006937", + "label": "Disease", + "name": "Hypercholesterolemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00627#mechanism-of-action", + "https://en.wikipedia.org/wiki/Niacin#Mechanisms", + "https://www.uniprot.org/uniprot/P11597#function", + "https://www.uniprot.org/uniprot/P02647#function", + "https://en.wikipedia.org/wiki/Hypercholesterolemia" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00627_MESH_D006949_1", + "disease": "Hyperlipidemias", + "disease_mesh": "MONDO:0021187", + "drug": "Niacin", + "drug_mesh": "CHEBI:15940", + "drugbank": "DB:DB00627" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:15940", + "target": "UniProt:O75907" + }, + { + "key": "decreases activity of", + "source": "CHEBI:15940", + "target": "UniProt:P04114" + }, + { + "key": "increases activity of", + "source": "CHEBI:15940", + "target": "UniProt:P02647" + }, + { + "key": "positively regulates", + "source": "UniProt:O75907", + "target": "GO:0019432" + }, + { + "key": "positively regulates", + "source": "UniProt:P04114", + "target": "GO:0019432" + }, + { + "key": "positively regulates", + "source": "UniProt:P02647", + "target": "GO:0034380" + }, + { + "key": "increases abundance of", + "source": "GO:0019432", + "target": "CHEBI:17855" + }, + { + "key": "increases abundance of", + "source": "GO:0034380", + "target": "MESH:D008075" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17855", + "target": "MONDO:0021187" + }, + { + "key": "negatively correlated with", + "source": "MESH:D008075", + "target": "MONDO:0021187" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009525", + "label": "Drug", + "name": "Niacin" + }, + { + "id": "UniProt:O75907", + "label": "Protein", + "name": "Diacylglycerol O-acyltransferase 1" + }, + { + "id": "UniProt:P02647", + "label": "Protein", + "name": "Apolipoprotein A-I" + }, + { + "id": "UniProt:P04114", + "label": "Protein", + "name": "Apolipoprotein B-100" + }, + { + "id": "GO:0019432", + "label": "BiologicalProcess", + "name": "triglyceride biosynthetic process" + }, + { + "id": "GO:0034380", + "label": "BiologicalProcess", + "name": "high-density lipoprotein particle 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"GO:0046654" + }, + { + "key": "positively correlated with", + "source": "GO:0046654", + "target": "GO:0006221" + }, + { + "key": "positively correlated with", + "source": "GO:0046654", + "target": "GO:0019363" + }, + { + "key": "positively correlated with", + "source": "GO:0006221", + "target": "GO:0000280" + }, + { + "key": "positively correlated with", + "source": "GO:0019363", + "target": "GO:0000280" + }, + { + "key": "in taxon", + "source": "GO:0000280", + "target": "taxonomy:5839" + }, + { + "key": "causes", + "source": "taxonomy:5839", + "target": "MONDO:0005136" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011739", + "label": "Drug", + "name": "pyrimethamine" + }, + { + "id": "UniProt:P13922", + "label": "Protein", + "name": "Bifunctional dihydrofolate reductase-thymidylate synthase" + }, + { + "id": "GO:0046654", + "label": "BiologicalProcess", + "name": "tetrahydrofolate biosynthetic process" + }, + { + "id": "GO:0006221", + "label": "BiologicalProcess", + "name": "pyrimidine nucleotide biosynthetic process" + }, + { + "id": "GO:0019363", + "label": "BiologicalProcess", + "name": "pyridine nucleotide biosynthetic process" + }, + { + "id": "GO:0000280", + "label": "BiologicalProcess", + "name": "nuclear division" + }, + { + "id": "taxonomy:5839", + "label": "OrganismTaxon", + "name": "Plasmodium falciparum K1" + }, + { + "id": "MESH:D008288", + "label": "Disease", + "name": "Malaria" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00205#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/target_report_card/CHEMBL1939/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00205_MESH_D014123_1", + "disease": "Toxoplasmosis", + "disease_mesh": "MONDO:0005989", + "drug": "pyrimethamine", + "drug_mesh": "CHEBI:8673", + "drugbank": "DB:DB00205" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:8673", + "target": "Pfam:PF00186" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00186", + 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nucleotide biosynthetic process" + }, + { + "id": "GO:0019363", + "label": "BiologicalProcess", + "name": "pyridine nucleotide biosynthetic process" + }, + { + "id": "GO:0000280", + "label": "BiologicalProcess", + "name": "nuclear division" + }, + { + "id": "taxonomy:5811", + "label": "OrganismTaxon", + "name": "Toxoplasma gondii" + }, + { + "id": "MESH:D014123", + "label": "Disease", + "name": "Toxoplasmosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00205#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/target_report_card/CHEMBL1939/" + ] + }, + { + "comment": "The drug has an anti-inflammatory role which can help with treating some of the signs and symptoms of rosasea.", + "directed": true, + "graph": { + "_id": "DB00484_MESH_D012393_1", + "disease": "Rosacea", + "disease_mesh": "MONDO:0006604", + "drug": "brimonidine", + "drug_mesh": "PUBCHEM.COMPOUND:25137926", + "drugbank": "DB:DB00484" + }, + "links": [ + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:25137926", + "target": "UniProt:P08913" + }, + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:25137926", + "target": "UniProt:P18089" + }, + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:25137926", + "target": "UniProt:P18825" + }, + { + "key": "participates in", + "source": "UniProt:P08913", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P18089", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P18825", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P08913", + "target": "reactome:R-HSA-418597" + }, + { + "key": "participates in", + "source": "UniProt:P18089", + "target": "reactome:R-HSA-418597" + }, + { + "key": "participates in", + "source": "UniProt:P18825", + "target": "reactome:R-HSA-418597" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418594", + "target": 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+ "name": "Alpha-2C adrenergic receptor" + }, + { + "id": "reactome:R-HSA-418594", + "label": "Pathway", + "name": "G alpha (i) signalling events" + }, + { + "id": "reactome:R-HSA-418597", + "label": "Pathway", + "name": "G alpha (z) signalling events" + }, + { + "id": "CHEBI:17489", + "label": "ChemicalSubstance", + "name": "3,5-cyclic AMP" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0031284", + "label": "PhenotypicFeature", + "name": "Flushing" + }, + { + "id": "HP:0001041", + "label": "PhenotypicFeature", + "name": "Facial erythema" + }, + { + "id": "MESH:D012393", + "label": "Disease", + "name": "Rosacea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00484#mechanism-of-action", + "https://en.wikipedia.org/wiki/Brimonidine#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Rosacea#Medications", + "https://pubmed.ncbi.nlm.nih.gov/26566370/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09087_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MONDO:0004247", + "drug": "alum", + "drug_mesh": "MESH:D000534", + "drugbank": "DB:DB09087" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000534", + "target": "GO:0006954" + }, + { + "key": "negatively regulates", + "source": "MESH:D000534", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MONDO:0004247" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MONDO:0004247" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C041524" + ], + "id": "MESH:D000534", + "label": "Drug", + "name": "alum" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09087#pharmacodynamics", + "https://en.wikipedia.org/wiki/Potassium_alum#Medicine_and_cosmetics" + ] + }, + { + "comment": "The disease is also known as Indigestion as per in the original file before curation. Note that in the majority of cases no cause can be attributed to leading to the disease. When a cause can indeed be determined, the majority of cases will be due to gastroesophageal reflux and gastritis (https://en.wikipedia.org/wiki/Indigestion#Cause).", + "directed": true, + "graph": { + "_id": "DB09087_MESH_D004415_1", + "disease": "Dyspepsia", + "disease_mesh": "MONDO:0002268", + "drug": "alum", + "drug_mesh": "MESH:D000534", + "drugbank": "DB:DB09087" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:D000534", + "target": "GO:0006954" + }, + { + "key": "negatively regulates", + "source": "MESH:D000534", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MONDO:0004966" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MONDO:0007186" + }, + { + "key": "manifestation of", + "source": "MONDO:0007186", + "target": "MONDO:0002268" + }, + { + "key": "manifestation of", + "source": "MONDO:0004966", + "target": "MONDO:0002268" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C041524" + ], + "id": "MESH:D000534", + "label": "Drug", + "name": "alum" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "HP:0005263", + "label": "PhenotypicFeature", + "name": "Gastritis" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "HP:0002020", + "label": "PhenotypicFeature", + "name": "Gastroesophageal reflux" + }, + { + "id": "MESH:D004415", + "label": "Disease", + "name": "Dyspepsia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09087#pharmacodynamics", + "https://en.wikipedia.org/wiki/Potassium_alum#Medicine_and_cosmetics" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09087_MESH_D006356_1", + "disease": "Heartburn", + "disease_mesh": "MONDO:0007186", + "drug": "alum", + "drug_mesh": "MESH:D000534", + "drugbank": "DB:DB09087" + }, + "links": [ + { + "key": "subclass of", + "source": "MESH:D000534", + "target": "CHEBI:74783" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:74783", + "target": "MESH:D005744" + }, + { + "key": "located in", + "source": "MESH:D005744", + "target": "UBERON:0001043" + }, + { + "key": "location of", + "source": "UBERON:0001043", + "target": "MONDO:0007186" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C041524" + ], + "id": "MESH:D000534", + "label": "Drug", + "name": "alum" + }, + { + "id": "MESH:D001252", + "label": "ChemicalSubstance", + "name": "Astringents" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric Acid" + }, + { + "id": "UBERON:0001043", + "label": "GrossAnatomicalStructure", + "name": "esophagus" + }, + { + "id": "MESH:D006356", + "label": "Disease", + "name": "Heartburn" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09087#pharmacodynamics", + "https://en.wikipedia.org/wiki/Potassium_alum#Medicine_and_cosmetics", + "https://en.wikipedia.org/wiki/Heartburn#Treatment" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09087_MESH_D005764_1", + "disease": "Gastroesophageal reflux disease", + "disease_mesh": "MONDO:0007186", + "drug": "alum", + "drug_mesh": "MESH:D000534", + "drugbank": "DB:DB09087" + }, + "links": [ + { + "key": "subclass of", + "source": "MESH:D000534", + "target": "CHEBI:74783" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:74783", + "target": "MESH:D005744" + }, + { + "key": "located in", + "source": "MESH:D005744", + "target": "UBERON:0001043" + }, + { + "key": "location of", + "source": "UBERON:0001043", + "target": "MONDO:0007186" + }, + { + "key": "manifestation of", + "source": "MONDO:0007186", + "target": "MONDO:0007186" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C041524" + ], + "id": "MESH:D000534", + "label": "Drug", + "name": "alum" + }, + { + "id": "MESH:D001252", + "label": "ChemicalSubstance", + "name": "Astringents" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric Acid" + }, + { + "id": "UBERON:0001043", + "label": "GrossAnatomicalStructure", + "name": "esophagus" + }, + { + "id": "MESH:D006356", + "label": "PhenotypicFeature", + "name": "Heartburn" + }, + { + "id": "MESH:D005764", + "label": "Disease", + "name": "Gastroesophageal reflux disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09087#pharmacodynamics", + "https://en.wikipedia.org/wiki/Potassium_alum#Medicine_and_cosmetics", + "https://en.wikipedia.org/wiki/Gastroesophageal_reflux_disease#Antacids" + ] + }, + { + "comment": "Esomeprazole is the s-isomer of Omeprazole, both are a proton pump inhibitor class of drug and the mechanism of action for both is similar. Weve annotated the path for the S isomer only as it seems this isomer is metabolized more slowly than omeprazole and therefore it will act for longer and more effectively (https://onlinelibrary.wiley.com/doi/pdf/10.1046/j.1365-2036.17.s1.1.x).", + "directed": true, + "graph": { + "_id": "DB00736_MESH_D005764_1", + "disease": "Gastroesophageal reflux disease", + "disease_mesh": "MONDO:0007186", + "drug": "esomeprazole", + "drug_mesh": "CHEBI:50275", + "drugbank": "DB:DB00736" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:50275", + "target": "UniProt:P20648" + }, + { + "key": "positively correlated with", + "source": "UniProt:P20648", + "target": "GO:0008900" + }, + { + "key": "located in", + "source": "GO:0008900", + "target": "UBERON:0000325" + }, + { + "key": "positively correlated with", + "source": "UBERON:0000325", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MONDO:0007186" + }, + { + "key": "manifestation of", + "source": "MONDO:0007186", + "target": "MONDO:0007186" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D064098", + "label": "Drug", + "name": "esomeprazole" + }, + { + "id": "UniProt:P20648", + "label": "Protein", + "name": "Potassium-transporting ATPase alpha chain 1" + }, + { + "id": "GO:0008900", + "label": "MolecularActivity", + "name": "P-type potassium:proton transporter activity" + }, + { + "id": "UBERON:0000325", + "label": "GrossAnatomicalStructure", + "name": "gastric gland" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "MESH:D006356", + "label": "PhenotypicFeature", + "name": "Heartburn" + }, + { + "id": "MESH:D005764", + "label": "Disease", + "name": "Gastroesophageal reflux disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00736#mechanism-of-action", + "https://en.wikipedia.org/wiki/Esomeprazole", + "https://en.wikipedia.org/wiki/Omeprazole#Mechanism_of_action" + ] + }, + { + "comment": "Esomeprazole is the s-isomer of Omeprazole, both are a proton pump inhibitor class of drug and the mechanism of action for both is similar. Weve annotated the path for the S isomer only as it seems this isomer is metabolized more slowly than omeprazole and therefore it will act for longer and more effectively (https://onlinelibrary.wiley.com/doi/pdf/10.1046/j.1365-2036.17.s1.1.x). This disease is denoted as Peptic reflux disease in the original file.", + "directed": true, + "graph": { + "_id": "DB00736_MESH_D004942_1", + "disease": "Esophagitis, Peptic", + "disease_mesh": "MONDO:0006896", + "drug": "esomeprazole", + "drug_mesh": "CHEBI:50275", + "drugbank": "DB:DB00736" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:50275", + "target": "UniProt:P20648" + }, + { + "key": "positively correlated with", + "source": "UniProt:P20648", + "target": "GO:0008900" + }, + { + "key": "positively correlated with", + "source": "GO:0008900", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MONDO:0003749" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MONDO:0007186" + }, + { + "key": "manifestation of", + "source": "MONDO:0003749", + "target": "MONDO:0006896" + }, + { + "key": "manifestation of", + "source": "MONDO:0007186", + "target": "MONDO:0006896" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D064098", + "label": "Drug", + "name": "esomeprazole" + }, + { + "id": "UniProt:P20648", + "label": "Protein", + "name": "Potassium-transporting ATPase alpha chain 1" + }, + { + "id": "GO:0008900", + "label": "MolecularActivity", + "name": "P-type potassium:proton transporter activity" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "HP:0004791", + "label": "PhenotypicFeature", + "name": "Esophageal ulceration" + }, + { + "id": "HP:0002020", + "label": "PhenotypicFeature", + "name": "Gastroesophageal reflux" + }, + { + "id": "MESH:D004942", + "label": "Disease", + "name": "Esophagitis, Peptic" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00736#mechanism-of-action", + "https://en.wikipedia.org/wiki/Esomeprazole", + "https://en.wikipedia.org/wiki/Omeprazole#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Esophagitis#Causes", + "https://en.wikipedia.org/wiki/Esophagitis#Medications" + ] + }, + { + "comment": "Esomeprazole is the s-isomer of Omeprazole, both are a proton pump inhibitor class of drug and the mechanism of action for both is similar. Weve annotated the path for the S isomer only as it seems this isomer is metabolized more slowly than omeprazole and therefore it will act for longer and more effectively (https://onlinelibrary.wiley.com/doi/pdf/10.1046/j.1365-2036.17.s1.1.x). This disease is denoted as Peptic reflux disease in the original file.", + "directed": true, + "graph": { + "_id": "DB00736_MESH_D015043_1", + "disease": "Zollinger-Ellison syndrome", + "disease_mesh": "MONDO:0019610", + "drug": "esomeprazole", + "drug_mesh": "CHEBI:50275", + "drugbank": "DB:DB00736" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:50275", + "target": "UniProt:P20648" + }, + { + "key": "positively correlated with", + "source": "UniProt:P20648", + "target": "GO:0008900" + }, + { + "key": "positively correlated with", + "source": "GO:0008900", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MONDO:0004247" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MONDO:0005412" + }, + { + "key": "manifestation of", + "source": "MONDO:0005412", + "target": "MONDO:0019610" + }, + { + "key": "manifestation of", + "source": "MONDO:0004247", + "target": "MONDO:0019610" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D064098", + "label": "Drug", + "name": "esomeprazole" + }, + { + "id": "UniProt:P20648", + "label": "Protein", + "name": "Potassium-transporting ATPase alpha chain 1" + }, + { + "id": "GO:0008900", + "label": "MolecularActivity", + "name": "P-type potassium:proton transporter activity" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "HP:0002588", + "label": "PhenotypicFeature", + "name": "Duodenal ulcer" + }, + { + "id": "HP:0004398", + "label": "PhenotypicFeature", + "name": "Peptic Ulcer" + }, + { + "id": "MESH:D015043", + "label": "Disease", + "name": "Zollinger-Ellison syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00736#mechanism-of-action", + "https://en.wikipedia.org/wiki/Esomeprazole", + "https://en.wikipedia.org/wiki/Omeprazole#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Esophagitis#Causes", + "https://en.wikipedia.org/wiki/Esophagitis#Medications", + "https://en.wikipedia.org/wiki/Zollinger%E2%80%93Ellison_syndrome#Treatment", + "https://en.wikipedia.org/wiki/Zollinger%E2%80%93Ellison_syndrome#Pathophysiology" + ] + }, + { + "comment": "Esomeprazole is the s-isomer of Omeprazole, both are a proton pump inhibitor class of drug and the mechanism of action for both is similar. Weve annotated the path for the S isomer only as it seems this isomer is metabolized more slowly than omeprazole and therefore it will act for longer and more effectively (https://onlinelibrary.wiley.com/doi/pdf/10.1046/j.1365-2036.17.s1.1.x). This disease is denoted as Peptic reflux disease in the original file.", + "directed": true, + "graph": { + "_id": "DB00736_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MONDO:0004247", + "drug": "esomeprazole", + "drug_mesh": "CHEBI:50275", + "drugbank": "DB:DB00736" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:50275", + "target": "UniProt:P20648" + }, + { + "key": "positively correlated with", + "source": "UniProt:P20648", + "target": "GO:0008900" + }, + { + "key": "positively correlated with", + "source": "GO:0008900", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MONDO:0004247" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D064098", + "label": "Drug", + "name": "esomeprazole" + }, + { + "id": "UniProt:P20648", + "label": "Protein", + "name": "Potassium-transporting ATPase alpha chain 1" + }, + { + "id": "GO:0008900", + "label": "MolecularActivity", + "name": "P-type potassium:proton transporter activity" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00736#mechanism-of-action", + "https://en.wikipedia.org/wiki/Esomeprazole", + "https://en.wikipedia.org/wiki/Omeprazole#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01048_MESH_D015658_2", + "disease": "Human immunodeficiency virus infection", + "disease_mesh": "MONDO:0005109", + "drug": "abacavir", + "drug_mesh": "CHEBI:421707", + "drugbank": "DB:DB01048" + }, + "links": [ + { + "key": "produces", + "source": "CHEBI:421707", + "target": "CHEBI:64174" + }, + { + "key": "decreases activity of", + "source": "CHEBI:64174", + "target": "UniProt:Q72547" + }, + { + "key": "positively regulates", + "source": "UniProt:Q72547", + "target": "GO:0003964" + }, + { + "key": "positively correlated with", + "source": "GO:0003964", + "target": "GO:0019079" + }, + { + "key": "in taxon", + "source": "GO:0019079", + "target": "taxonomy:11676" + }, + { + "key": "causes", + "source": "taxonomy:11676", + "target": "MONDO:0005109" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C106538", + "label": "Drug", + "name": "abacavir" + }, + { + "id": "CHEBI:64174", + "label": "ChemicalSubstance", + "name": "carbovir triphosphate" + }, + { + "id": "UniProt:Q72547", + "label": "Protein", + "name": "Reverse transcriptase/RNaseH" + }, + { + "id": "GO:0003964", + "label": "MolecularActivity", + "name": "RNA-directed DNA polymerase activity" + }, + { + "id": "GO:0019079", + "label": "BiologicalProcess", + "name": "viral genome replication" + }, + { + "id": "taxonomy:11676", + "label": "OrganismTaxon", + "name": "Human immunodeficiency virus 1" + }, + { + "id": "MESH:D015658", + "label": "Disease", + "name": "Human immunodeficiency virus infection" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01048#mechanism-of-action", + "https://en.wikipedia.org/wiki/Abacavir#Mechanism_of_action" + ] + }, + { + "comment": "The disease is also known as Sore throat symptom as per the original file.", + "directed": true, + "graph": { + "_id": "DB06742_MESH_D010612_1", + "disease": "Pharyngitis", + "disease_mesh": "MONDO:0002258", + "drug": "ambroxol", + "drug_mesh": "UNII:200168S0CL", + "drugbank": "DB:DB06742" + }, + "links": [ + { + "key": "negatively regulates", + "source": "UNII:200168S0CL", + "target": "GO:0038060" + }, + { + "key": "positively correlated with", + "source": "GO:0038060", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "HP:0033050" + }, + { + "key": "negatively regulates", + "source": "UNII:200168S0CL", + "target": "Pfam:PF06512" + }, + { + "key": "positively correlated with", + "source": "Pfam:PF06512", + "target": "GO:0006954" + }, + { + "key": "increases abundance of", + "source": "GO:0038060", + "target": "UBERON:0016552" + }, + { + "key": "positively correlated with", + "source": "UBERON:0016552", + "target": "HP:0031602" + }, + { + "key": "positively correlated with", + "source": "HP:0031602", + "target": "HP:0033050" + }, + { + "key": "positively correlated with", + "source": "Pfam:PF06512", + "target": "HP:0012531" + }, + { + "key": "positively correlated with", + "source": "HP:0012531", + "target": "HP:0033050" + }, + { + "key": "manifestation of", + "source": "HP:0033050", + "target": "MONDO:0002258" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000551", + "label": "Drug", + "name": "ambroxol" + }, + { + "id": "GO:0038060", + "label": "BiologicalProcess", + "name": "nitric oxide-cGMP-mediated signaling pathway" + }, + { + "id": "HP:0012531", + "label": "PhenotypicFeature", + "name": "Pain" + }, + { + "id": "UBERON:0016552", + "label": "GrossAnatomicalStructure", + "name": "phlegm" + }, + { + "id": "HP:0031602", + "label": "PhenotypicFeature", + "name": "Abnormal mucociliary clearance" + }, + { + "id": "Pfam:PF06512", + "label": "GeneFamily", + "name": "Sodium ion transport-associated" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "HP:0033050", + "label": "PhenotypicFeature", + "name": "Pharyngalgia" + }, + { + "id": "MESH:D010612", + "label": "Disease", + "name": "Pharyngitis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Ambroxol#Mechanism_of_action", + "https://go.drugbank.com/drugs/DB06742#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/28937232/", + "https://en.wikipedia.org/wiki/Sore_throat#Diagnosis" + ] + }, + { + "comment": "Tolvaptan is also known as aquaretic (https://en.wikipedia.org/wiki/Aquaretic). Note that hyponatremia corresponds to the state where water content is relatively large for the sodium content available (https://pubmed.ncbi.nlm.nih.gov/19322975/), which is possibly due to increased water reabsorption. There are different types of hyponatremia, and medications like tolvaptan should only be used in those patients with high volume or normal volume hyponatremia (https://en.wikipedia.org/wiki/Hyponatremia#Medications).", + "directed": true, + "graph": { + "_id": "DB06212_MESH_D007010_1", + "disease": "Hyponatremia", + "disease_mesh": "HP:0002902", + "drug": "tolvaptan", + "drug_mesh": "MESH:C116664", + "drugbank": "DB:DB06212" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C116664", + "target": "UniProt:P30518" + }, + { + "key": "participates in", + "source": "UniProt:P30518", + "target": "reactome:R-HSA-432040" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-432040", + "target": "GO:0070295" + }, + { + "key": "positively correlated with", + "source": "GO:0070295", + "target": "HP:0002902" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C116664", + "label": "Drug", + "name": "tolvaptan" + }, + { + "id": "UniProt:P30518", + "label": "Protein", + "name": "Vasopressin V2 receptor" + }, + { + "id": "reactome:R-HSA-432040", + "label": "Pathway", + "name": "Vasopressin regulates renal water homeostasis via Aquaporins" + }, + { + "id": "GO:0070295", + "label": "BiologicalProcess", + "name": "renal water absorption" + }, + { + "id": "MESH:D007010", + "label": "Disease", + "name": "Hyponatremia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06212#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/20868352/", + "https://en.wikipedia.org/wiki/Vasopressin_receptor_antagonist" + ] + }, + { + "comment": "This disease is also known as Syndrome of inappropriate vasopressin secretion as per the original file. Tolvaptan is also known as aquaretic (https://en.wikipedia.org/wiki/Aquaretic). Note that hyponatremia corresponds to the state where water content is relatively large for the sodium content available (https://pubmed.ncbi.nlm.nih.gov/19322975/), which is possibly due to increased water reabsorption.", + "directed": true, + "graph": { + "_id": "DB06212_MESH_D007177_1", + "disease": "Inappropriate ADH Syndrome", + "disease_mesh": "MONDO:0006802", + "drug": "tolvaptan", + "drug_mesh": "MESH:C116664", + "drugbank": "DB:DB06212" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C116664", + "target": "UniProt:P30518" + }, + { + "key": "participates in", + "source": "UniProt:P30518", + "target": "reactome:R-HSA-432040" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-432040", + "target": "GO:0070295" + }, + { + "key": "positively correlated with", + "source": "GO:0070295", + "target": "MONDO:0006802" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C116664", + "label": "Drug", + "name": "tolvaptan" + }, + { + "id": "UniProt:P30518", + "label": "Protein", + "name": "Vasopressin V2 receptor" + }, + { + "id": "reactome:R-HSA-432040", + "label": "Pathway", + "name": "Vasopressin regulates renal water homeostasis via Aquaporins" + }, + { + "id": "GO:0070295", + "label": "BiologicalProcess", + "name": "renal water absorption" + }, + { + "alt_names": [ + "Syndrome of Inappropriate ADH Secretion, SIADH" + ], + "id": "MESH:D007177", + "label": "Disease", + "name": "Inappropriate ADH Syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06212#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/20868352/", + "https://en.wikipedia.org/wiki/Vasopressin_receptor_antagonist", + "https://en.wikipedia.org/wiki/Syndrome_of_inappropriate_antidiuretic_hormone_secretion#Treatment" + ] + }, + { + "comment": "This disease is also known as Polycystic kidney disease adult type as per the original file. Tolvaptan is also known as aquaretic (https://en.wikipedia.org/wiki/Aquaretic). Note that hyponatremia corresponds to the state where water content is relatively large for the sodium content available (https://pubmed.ncbi.nlm.nih.gov/19322975/), which is possibly due to increased water reabsorption.", + "directed": true, + "graph": { + "_id": "DB06212_MESH_D016891_1", + "disease": "Polycystic Kidney, Autosomal Dominant", + "disease_mesh": "MONDO:0004691", + "drug": "tolvaptan", + "drug_mesh": "MESH:C116664", + "drugbank": "DB:DB06212" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C116664", + "target": "UniProt:P30518" + }, + { + "key": "participates in", + "source": "UniProt:P30518", + "target": "reactome:R-HSA-418555" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-418555", + "target": "CHEBI:17489" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17489", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17489", + "target": "MONDO:0002473" + }, + { + "key": "manifestation of", + "source": "MONDO:0002473", + "target": "MONDO:0004691" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MONDO:0004691" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C116664", + "label": "Drug", + "name": "tolvaptan" + }, + { + "id": "UniProt:P30518", + "label": "Protein", + "name": "Vasopressin V2 receptor" + }, + { + "id": "reactome:R-HSA-418555", + "label": "Pathway", + "name": "G alpha (s) signalling events" + }, + { + "id": "CHEBI:17489", + "label": "ChemicalSubstance", + "name": "3,5-cyclic AMP" + }, + { + "id": "HP:0000107", + "label": "PhenotypicFeature", + "name": "Renal cyst" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "MESH:D016891", + "label": "Disease", + "name": "Polycystic Kidney, Autosomal Dominant" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06212#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/20868352/", + "https://en.wikipedia.org/wiki/Autosomal_dominant_polycystic_kidney_disease#Aquaretic_medication", + "https://en.wikipedia.org/wiki/Vasopressin_receptor_antagonist#Polycystic_kidney_disease" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00855_MESH_D055623_1", + "disease": "Actinic keratosis", + "disease_mesh": "MONDO:0005173", + "drug": "Aminolevulinic acid", + "drug_mesh": "CHEBI:17549", + "drugbank": "DB:DB00855" + }, + "links": [ + { + "key": "subclass of", + "source": "CHEBI:17549", + "target": "MESH:D017319" + }, + { + "key": "positively correlated with", + "source": "MESH:D017319", + "target": "CHEBI:26519" + }, + { + "key": "disrupts", + "source": "CHEBI:26519", + "target": "HP:0011355" + }, + { + "key": "positively correlated with", + "source": "HP:0011355", + "target": "MONDO:0005173" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000622", + "label": "Drug", + "name": "Aminolevulinic acid" + }, + { + "id": "MESH:D017319", + "label": "ChemicalSubstance", + "name": "Photosensitizing Agents" + }, + { + "id": "MESH:D005609", + "label": "ChemicalSubstance", + "name": "Free Radicals" + }, + { + "id": "HP:0011355", + "label": "PhenotypicFeature", + "name": "Localized skin lesion" + }, + { + "id": "MESH:D055623", + "label": "Disease", + "name": "Actinic keratosis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Aminolevulinic_acid#Medical_uses", + "https://en.wikipedia.org/wiki/Actinic_keratosis#Procedures", + "https://en.wikipedia.org/wiki/Photodynamic_therapy#Photosensitizers" + ] + }, + { + "comment": "In Parkinson's disease, there is imbalance between levels of acetylcholine and dopamine, where increased levels of acetylcholine and degeneration of dopaminergic pathways are observed. Therefore, muscarinic antagonists such as biperiden block central cholinergic activity and balancing out neurotransmitters in the brain (https://en.wikipedia.org/wiki/Muscarinic_antagonist#Effects). Anticholinergic drugs may also be prescribed to improve bladder dysfunction (https://pubmed.ncbi.nlm.nih.gov/20370804/).", + "directed": true, + "graph": { + "_id": "DB00810_MESH_D010300_1", + "disease": "Parkinson's disease", + "disease_mesh": "MONDO:0005180", + "drug": "biperiden", + "drug_mesh": "CHEBI:3112", + "drugbank": "DB:DB00810" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:3112", + "target": "UniProt:P11229" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "MONDO:0005395" + }, + { + "key": "manifestation of", + "source": "MONDO:0005395", + "target": "MONDO:0005180" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C036432" + ], + "id": "MESH:D001712", + "label": "Drug", + "name": "biperiden" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "HP:0100022", + "label": "PhenotypicFeature", + "name": "Abnormality of movement" + }, + { + "id": "MESH:D010300", + "label": "Disease", + "name": "Parkinson's disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00810#mechanism-of-action" + ] + }, + { + "comment": "The disease is denoted as Postencephalitic parkinsonism in the original file. This disease is believed to be caused by a viral infection, leading to clinical parkinsonism (https://en.wikipedia.org/wiki/Postencephalitic_parkinsonism) and anti-Parkinson drugs may be helpful in treating the symptoms (https://en.wikipedia.org/wiki/Encephalitis_lethargica). For example, muscarinic antagonists can allow dopamine levels to rebalance, which can help relieve some Parkinsonian symptoms e.g. involuntary movements. Anticholinergic drugs may also be prescribed to improve bladder dysfunction (https://pubmed.ncbi.nlm.nih.gov/20370804/).", + "directed": true, + "graph": { + "_id": "DB00810_MESH_D010301_1", + "disease": "Parkinson Disease, Postencephalitic", + "disease_mesh": "MONDO:0001945", + "drug": "biperiden", + "drug_mesh": "CHEBI:3112", + "drugbank": "DB:DB00810" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:3112", + "target": "UniProt:P11229" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "MONDO:0005395" + }, + { + "key": "positively correlated with", + "source": "MONDO:0005395", + "target": "MONDO:0021095" + }, + { + "key": "manifestation of", + "source": "MONDO:0021095", + "target": "MONDO:0001945" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C036432" + ], + "id": "MESH:D001712", + "label": "Drug", + "name": "biperiden" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "HP:0100022", + "label": "PhenotypicFeature", + "name": "Abnormality of movement" + }, + { + "id": "HP:0001300", + "label": "PhenotypicFeature", + "name": "Parkinsonism" + }, + { + "id": "MESH:D010301", + "label": "Disease", + "name": "Parkinson Disease, Postencephalitic" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00810#mechanism-of-action" + ] + }, + { + "comment": "The disease is also known as Parkinsonism as per the original file. Muscarinic antagonists can allow dopamine levels to rebalance, which can help relieve some Parkinsonian symptoms e.g. involuntary movements. Anticholinergic drugs may also be prescribed to improve bladder dysfunction (https://pubmed.ncbi.nlm.nih.gov/20370804/).", + "directed": true, + "graph": { + "_id": "DB00810_MESH_D020734_1", + "disease": "Parkinsonian Disorders", + "disease_mesh": "MONDO:0021095", + "drug": "biperiden", + "drug_mesh": "CHEBI:3112", + "drugbank": "DB:DB00810" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:3112", + "target": "UniProt:P11229" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "MONDO:0005395" + }, + { + "key": "manifestation of", + "source": "MONDO:0005395", + "target": "MONDO:0021095" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C036432" + ], + "id": "MESH:D001712", + "label": "Drug", + "name": "biperiden" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "HP:0100022", + "label": "PhenotypicFeature", + "name": "Abnormality of movement" + }, + { + "id": "MESH:D020734", + "label": "Disease", + "name": "Parkinsonian Disorders" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00810#mechanism-of-action", + "https://en.wikipedia.org/wiki/Muscarinic_antagonist#Effects" + ] + }, + { + "comment": "The disease is also known as Extrapyramidal disease as per the original file.", + "directed": true, + "graph": { + "_id": "DB00810_MESH_D001480_1", + "disease": "Basal Ganglia Diseases", + "disease_mesh": "MONDO:0003996", + "drug": "biperiden", + "drug_mesh": "CHEBI:3112", + "drugbank": "DB:DB00810" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:3112", + "target": "UniProt:P11229" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "HP:0002071" + }, + { + "key": "manifestation of", + "source": "HP:0002071", + "target": "MONDO:0003996" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C036432" + ], + "id": "MESH:D001712", + "label": "Drug", + "name": "biperiden" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "HP:0002071", + "label": "PhenotypicFeature", + "name": "Abnormality of extrapyramidal motor function" + }, + { + "id": "MESH:D001480", + "label": "Disease", + "name": "Basal Ganglia Diseases" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00810#mechanism-of-action", + "https://en.wikipedia.org/wiki/Muscarinic_antagonist#Effects", + "https://en.wikipedia.org/wiki/Extrapyramidal_symptoms#Treatment" + ] + }, + { + "comment": "UBERON:0003956 includes the uveoscleral network as well as other canals for aqueous humor drainage. The uveoscleral network is the structure that seems to be affected by alpha adrenergic agonists, such as brimonidine, specially in long-term treatments (i.e. chronic dosing).", + "directed": true, + "graph": { + "_id": "DB00484_MESH_D005902_2", + "disease": "Open-angle glaucoma", + "disease_mesh": "MONDO:0005338", + "drug": "brimonidine", + "drug_mesh": "PUBCHEM.COMPOUND:25137926", + "drugbank": "DB:DB00484" + }, + "links": [ + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:25137926", + "target": "UniProt:P08913" + }, + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:25137926", + "target": "UniProt:P18089" + }, + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:25137926", + "target": "UniProt:P18825" + }, + { + "key": "participates in", + "source": "UniProt:P08913", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P18089", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P18825", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P08913", + "target": "reactome:R-HSA-418597" + }, + { + "key": "participates in", + "source": "UniProt:P18089", + "target": "reactome:R-HSA-418597" + }, + { + "key": "participates in", + "source": "UniProt:P18825", + "target": "reactome:R-HSA-418597" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418594", + "target": "CHEBI:17489" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418597", + "target": "CHEBI:17489" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17489", + "target": "UBERON:0001796" + }, + { + "key": "regulates", + "source": "CHEBI:17489", + "target": "GO:0006939" + }, + { + "key": "regulates", + "source": "GO:0006939", + "target": "UBERON:0003956" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001796", + "target": "HP:0007906" + }, + { + "key": "negatively correlated with", + "source": "UBERON:0003956", + "target": "HP:0007906" + }, + { + "key": "positively correlated with", + "source": "HP:0007906", + "target": "MONDO:0005338" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068438", + "label": "Drug", + "name": "brimonidine" + }, + { + "id": "UniProt:P08913", + "label": "Protein", + "name": "Alpha-2A adrenergic receptor" + }, + { + "id": "UniProt:P18089", + "label": "Protein", + "name": "Alpha-2B adrenergic receptor" + }, + { + "id": "UniProt:P18825", + "label": "Protein", + "name": "Alpha-2C adrenergic receptor" + }, + { + "id": "reactome:R-HSA-418594", + "label": "Pathway", + "name": "G alpha (i) signalling events" + }, + { + "id": "reactome:R-HSA-418597", + "label": "Pathway", + "name": "G alpha (z) signalling events" + }, + { + "id": "CHEBI:17489", + "label": "ChemicalSubstance", + "name": "3,5-cyclic AMP" + }, + { + "id": "GO:0006939", + "label": "BiologicalProcess", + "name": "smooth muscle contraction" + }, + { + "id": "UBERON:0001796", + "label": "GrossAnatomicalStructure", + "name": "aqueous humor of eyeball" + }, + { + "id": "UBERON:0003956", + "label": "GrossAnatomicalStructure", + "name": "aqueous drainage system" + }, + { + "id": "HP:0007906", + "label": "PhenotypicFeature", + "name": "Ocular Hypertension" + }, + { + "id": "MESH:D005902", + "label": "Disease", + "name": "Open-angle glaucoma" + } + ], + "reference": [ + "mhttps://go.drugbank.com/drugs/DB00484#mechanism-of-action", + "https://en.wikipedia.org/wiki/Brimonidine#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Aqueous_humour#Clinical_significance https://en.wikipedia.org/wiki/Ciliary_body#Clinical_significance" + ] + }, + { + "comments": "The drug has an anti-inflammatory role which can help with treating some of the signs and symptoms of rosasea.", + "directed": true, + "graph": { + "_id": "DB00484_MESH_D012393_2", + "disease": "Rosacea", + "disease_mesh": "MONDO:0006604", + "drug": "brimonidine", + "drug_mesh": "PUBCHEM.COMPOUND:25137926", + "drugbank": "DB:DB00484" + }, + "links": [ + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:25137926", + "target": "MESH:D018341" + }, + { + "key": "participates in", + "source": "MESH:D018341", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "MESH:D018341", + "target": "reactome:R-HSA-418597" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418594", + "target": "CHEBI:17489" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418597", + "target": "CHEBI:17489" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:17489", + "target": "GO:0042310" + }, + { + "key": "negatively correlated with", + "source": "GO:0042310", + "target": "MONDO:0006604" + }, + { + "key": "negatively correlated with", + "source": "GO:0042310", + "target": "HP:0031284" + }, + { + "key": "positively correlated with", + "source": "HP:0031284", + "target": "MONDO:0006604" + }, + { + "key": "positively correlated with", + "source": "MONDO:0006604", + "target": "MONDO:0006604" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068438", + "label": "Drug", + "name": "brimonidine" + }, + { + "id": "MESH:D018341", + "label": "GeneFamily", + "name": "Receptors, Adrenergic, alpha-2" + }, + { + "id": "reactome:R-HSA-418594", + "label": "Pathway", + "name": "G alpha (i) signalling events" + }, + { + "id": "reactome:R-HSA-418597", + "label": "Pathway", + "name": "G alpha (z) signalling events" + }, + { + "id": "CHEBI:17489", + "label": "ChemicalSubstance", + "name": "3,5-cyclic AMP" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0031284", + "label": "PhenotypicFeature", + "name": "Flushing" + }, + { + "id": "HP:0001041", + "label": "PhenotypicFeature", + "name": "Facial erythema" + }, + { + "id": "MESH:D012393", + "label": "Disease", + "name": "Rosacea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00484#mechanism-of-action", + "https://en.wikipedia.org/wiki/Brimonidine#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Rosacea#Medications", + "https://pubmed.ncbi.nlm.nih.gov/26566370/" + ] + }, + { + "comment": "UBERON:0003956 includes the uveoscleral network as well as other canals for aqueous humor drainage. The uveoscleral network is the structure that seems to be affected by alpha adrenergic agonists, such as brimonidine, specially in long-term treatments (i.e. chronic dosing).", + "directed": true, + "graph": { + "_id": "DB00484_MESH_D009798_2", + "disease": "Ocular hypertension", + "disease_mesh": "MONDO:0006875", + "drug": "brimonidine", + "drug_mesh": "PUBCHEM.COMPOUND:25137926", + "drugbank": "DB:DB00484" + }, + "links": [ + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:25137926", + "target": "UniProt:P08913" + }, + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:25137926", + "target": "UniProt:P18089" + }, + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:25137926", + "target": "UniProt:P18825" + }, + { + "key": "participates in", + "source": "UniProt:P08913", + "target": "reactome:R-HSA-418594" + }, + { + "key": "participates in", + "source": "UniProt:P18089", + "target": "reactome:R-HSA-418594" + }, + { + "key": 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"https://en.wikipedia.org/wiki/Phenytoin#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00827_MESH_D014552_1", + "disease": "Urinary tract infectious disease", + "disease_mesh": "MONDO:0100338", + "drug": "cinoxacin", + "drug_mesh": "CHEBI:3716", + "drugbank": "DB:DB00827" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:3716", + "target": "UniProt:P0AES4" + }, + { + "key": "positively regulates", + "source": "UniProt:P0AES4", + "target": "GO:0006261" + }, + { + "key": "precedes", + "source": "GO:0006261", + "target": "GO:0051301" + }, + { + "key": "in taxon", + "source": "GO:0051301", + "target": "taxonomy:562" + }, + { + "key": "causes", + "source": "taxonomy:562", + "target": "MONDO:0100338" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002937", + "label": "Drug", + "name": "cinoxacin" + }, + { + "id": "UniProt:P0AES4", + "label": "Protein", + "name": "DNA gyrase subunit A" + }, + { + "id": "GO:0006261", + "label": "BiologicalProcess", + "name": "DNA-dependent DNA replication" + }, + { + "id": "GO:0051301", + "label": "BiologicalProcess", + "name": "cell division" + }, + { + "id": "taxonomy:562", + "label": "OrganismTaxon", + "name": "Escherichia coli" + }, + { + "id": "MESH:D014552", + "label": "Disease", + "name": "Urinary tract infectious disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00827#mechanism-of-action" + ] + }, + { + "comment": "The drug is no longer FDA approved (https://en.wikipedia.org/wiki/Tocolytic#Types_of_agents).", + "directed": true, + "graph": { + "_id": "DB00867_MESH_D007752_1", + "disease": "Premature labor", + "disease_mesh": "UMLS:C0022876", + "drug": "ritodrine", + "drug_mesh": "CHEBI:156577", + "drugbank": "DB:DB00867" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:156577", + "target": "UniProt:P07550" + }, + { + "key": "positively regulates", + "source": "UniProt:P07550", + "target": "GO:0044558" + }, + { + "key": "negatively correlated with", + "source": "GO:0044558", + "target": "UMLS:C0022876" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D012312", + "label": "Drug", + "name": "ritodrine" + }, + { + "id": "UniProt:P07550", + "label": "Protein", + "name": "Beta-2 adrenergic receptor" + }, + { + "id": "GO:0044558", + "label": "BiologicalProcess", + "name": "uterine smooth muscle relaxation" + }, + { + "id": "MESH:D007752", + "label": "Disease", + "name": "Premature labor" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00867#mechanism-of-action", + "https://en.wikipedia.org/wiki/Ritodrine" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB04920_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MONDO:0005044", + "drug": "clevidipine", + "drug_mesh": "CHEBI:135738", + "drugbank": "DB:DB04920" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:135738", + "target": "MESH:D020746" + }, + { + "key": "positively 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"label": "PhenotypicFeature", + "name": "Increased blood pressure" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04920#mechanism-of-action", + "https://en.wikipedia.org/wiki/Clevidipine#Basic_chemical_and_pharmacological_properties" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06636_MESH_D001228_1", + "disease": "Aspergillosis", + "disease_mesh": "MONDO:0005657", + "drug": "isavuconazonium", + "drug_mesh": "CHEBI:85979", + "drugbank": "DB:DB06636" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:85979", + "target": "Pfam:PF00067" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00067", + "target": "GO:0008398" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00067", + "target": "GO:0006696" + }, + { + "key": "positively correlated with", + "source": "GO:0008398", + "target": "CHEBI:16933" + }, + { + "key": "increases 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"name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "CHEBI:16521", + "label": "ChemicalSubstance", + "name": "lanosterol" + }, + { + "id": "GO:0009277", + "label": "CellularComponent", + "name": "fungal-type cell wall" + }, + { + "id": "taxonomy:5052", + "label": "OrganismTaxon", + "name": "Aspergillus sp." + }, + { + "id": "MESH:D001228", + "label": "Disease", + "name": "Aspergillosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06636#mechanism-of-action", + "https://en.wikipedia.org/wiki/Isavuconazonium#Pharmacology" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06636_MESH_D009091_1", + "disease": "Mucormycosis", + "disease_mesh": "MONDO:0019136", + "drug": "isavuconazonium", + "drug_mesh": "CHEBI:85979", + "drugbank": "DB:DB06636" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:85979", + "target": "Pfam:PF00067" + }, + { + "key": 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"label": "Drug", + "name": "isavuconazonium" + }, + { + "id": "Pfam:PF00067", + "label": "GeneFamily", + "name": "Cytochrome P450" + }, + { + "id": "GO:0008398", + "label": "MolecularActivity", + "name": "sterol 14-demethylase activity" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "CHEBI:16521", + "label": "ChemicalSubstance", + "name": "lanosterol" + }, + { + "id": "GO:0009277", + "label": "CellularComponent", + "name": "fungal-type cell wall" + }, + { + "id": "taxonomy:4827", + "label": "OrganismTaxon", + "name": "Mucorales" + }, + { + "id": "MESH:D009091", + "label": "Disease", + "name": "Mucormycosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06636#mechanism-of-action", + "https://en.wikipedia.org/wiki/Isavuconazonium#Pharmacology", + "https://en.wikipedia.org/wiki/Mucormycosis#Treatment" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09265_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MONDO:0005148", + "drug": "lixisenatide", + "drug_mesh": "CHEBI:85662", + "drugbank": "DB:DB09265" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:85662", + "target": "UniProt:P43220" + }, + { + "key": "participates in", + "source": "UniProt:P43220", + "target": "reactome:R-HSA-381676" + }, + { + "key": "participates in", + "source": "UniProt:P43220", + "target": "reactome:R-HSA-418555" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-418555", + "target": "GO:0014808" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-381676", + "target": "GO:0014808" + }, + { + "key": "positively correlated with", + "source": "GO:0014808", + "target": "GO:0030073" + }, + { + "key": "negatively correlated with", + "source": "GO:0030073", + "target": "MONDO:0005148" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C479460", + "label": "Drug", + "name": "lixisenatide" + }, + { + "id": "UniProt:P43220", + "label": "Protein", + "name": "Glucagon-like peptide 1 receptor" + }, + { + "id": "UniProt:P43220", + "label": "Protein", + "name": "Glucagon-like peptide 1 receptor" + }, + { + "id": "reactome:R-HSA-381676", + "label": "Pathway", + "name": "Glucagon-like Peptide-1 (GLP1) regulates insulin secretion" + }, + { + "id": "reactome:R-HSA-418555", + "label": "Pathway", + "name": "G alpha (s) signalling events" + }, + { + "id": "GO:0014808", + "label": "BiologicalProcess", + "name": "release of sequestered calcium ion into cytosol by sarcoplasmic reticulum" + }, + { + "id": "GO:0030073", + "label": "BiologicalProcess", + "name": "insulin secretion" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09265", + "https://en.wikipedia.org/wiki/Lixisenatide#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Glucagon-like_peptide-1_receptor#Function_and_therapeutic_potential" + ] + }, + { + "comment": "There seems to be no evidence linking sulfacetamide as treatment for Amebic infection. Sulfacetamide is an antibacterial type of drug (https://www.kegg.jp/entry/D05947) and it seems the drug has some anti-inflammatory role. Since the disease could lead to inflammation and ulceration of the colon perhaps there could be an anti-inflammation hypothesis but the drug is mainly available as eye drops and lotions (https://en.wikipedia.org/wiki/Sulfacetamide#Available_forms), and therefore unavailable to treat the intestinal tract in such formats. Note there are few amoeba species that may cause skin or eye issues (https://en.wikipedia.org/wiki/Acanthamoeba_keratitis), in which case sulfacetamide could potentially be an indication, albeit no evidence to prove this assumption has been found in databases or literature.", + "directed": true, + "graph": { + "_id": "DB00634_MESH_D000562_1", + "disease": "Amebic infection", + "disease_mesh": "MONDO:0005644", + "drug": "sulfacetamide", + "drug_mesh": "CHEBI:63845", + "drugbank": "DB:DB00634" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:63845", + "target": "GO:0006954" + }, + { + "key": "caused by", + "source": "GO:0006954", + "target": "MONDO:0005644" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013409", + "label": "Drug", + "name": "sulfacetamide" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D000562", + "label": "Disease", + "name": "Amebic infection" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00634#mechanism-of-action" + ] + }, + { + "comment": "The action of the drug on 5-HT2 receptors is of an inverse agonist (https://en.wikipedia.org/wiki/Inverse_agonist). The dopamine neurons are located in the mesolimbic dopaminergic system (BTO:0005591), which is a component pathway of the medial forebrain bundle (UBERON:0001910)(https://en.wikipedia.org/wiki/Medial_forebrain_bundle#Anatomy).", + "directed": true, + "graph": { + "_id": "DB08922_MESH_D012559_1", + "disease": "Schizophrenia", + "disease_mesh": "MONDO:0005090", + "drug": "perospirone", + "drug_mesh": "CHEBI:94777", + "drugbank": "DB:DB08922" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:94777", + "target": "UniProt:P08908" + }, + { + "key": "decreases activity of", + "source": "CHEBI:94777", + "target": "UniProt:P14416" + }, + { + "key": "decreases activity of", + "source": "CHEBI:94777", + "target": "UniProt:P28223" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P08908", + "target": "MONDO:0011918" + }, + { + "key": "positively regulates", + "source": "UniProt:P28223", + "target": "GO:0014046" + }, + { + "key": "positively regulates", + 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"label": "Protein", + "name": "5-hydroxytryptamine receptor 2A" + }, + { + "id": "UniProt:P14416", + "label": "Protein", + "name": "D(2) dopamine receptor" + }, + { + "id": "UniProt:P08908", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 1A" + }, + { + "id": "GO:0014046", + "label": "BiologicalProcess", + "name": "dopamine secretion" + }, + { + "id": "GO:0014047", + "label": "BiologicalProcess", + "name": "glutamate secretion" + }, + { + "id": "GO:0004952", + "label": "MolecularActivity", + "name": "dopamine neurotransmitter receptor activity" + }, + { + "id": "CHEBI:18243", + "label": "ChemicalSubstance", + "name": "dopamine" + }, + { + "id": "UBERON:0009834", + "label": "GrossAnatomicalStructure", + "name": "dorsolateral prefrontal cortex" + }, + { + "id": "UBERON:0001910", + "label": "GrossAnatomicalStructure", + "name": "medial forebrain bundle" + }, + { + "id": "HP:0100543", + "label": "PhenotypicFeature", + "name": "Cognitive impairment" + }, + { + "id": "HP:0030213", + "label": "PhenotypicFeature", + "name": "Emotional blunting" + }, + { + "id": "HP:0012154", + "label": "PhenotypicFeature", + "name": "Anhedonia" + }, + { + "id": "HP:0002465", + "label": "PhenotypicFeature", + "name": "Poor speech" + }, + { + "id": "HP:0000741", + "label": "PhenotypicFeature", + "name": "Apathy" + }, + { + "id": "HP:0000709", + "label": "PhenotypicFeature", + "name": "Psychosis" + }, + { + "id": "HP:0000739", + "label": "PhenotypicFeature", + "name": "Anxiety" + }, + { + "id": "MESH:D012559", + "label": "Disease", + "name": "Schizophrenia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08922#mechanism-of-action", + "https://en.wikipedia.org/wiki/Antipsychotic#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Mesolimbic_pathway#Relation_to_neurological_and_psychological_disorders", + "https://en.wikipedia.org/wiki/Schizophrenia#Signs_and_symptoms", + "https://en.wikipedia.org/wiki/Dopaminergic_pathways#Pathways", + 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The mechanism of action of aurothioglucose is not well elucidated.", + "directed": true, + "graph": { + "_id": "DB09121_MESH_D001172_1", + "disease": "Rheumatoid arthritis", + "disease_mesh": "MONDO:0008383", + "drug": "Aurothioglucose", + "drug_mesh": "PUBCHEM.COMPOUND:6104", + "drugbank": "DB:DB09121" + }, + "links": [ + { + "key": "negatively regulates", + "source": "PUBCHEM.COMPOUND:6104", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MONDO:0008383" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D006051", + "label": "Drug", + "name": "Aurothioglucose" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "Inflammatory response" + }, + { + "id": "MESH:D001172", + "label": "Disease", + "name": "Rheumatoid arthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09121", + "https://en.wikipedia.org/wiki/Gold_salts#Mechanism_in_arthritis" + ] + }, + { + "comment": "Withdrawn. The mechanism of action of aurothioglucose is not well elucidated.", + "directed": true, + "graph": { + "_id": "DB09121_MESH_D001171_1", + "disease": "Juvenile rheumatoid arthritis", + "disease_mesh": "MONDO:0011429", + "drug": "Aurothioglucose", + "drug_mesh": "PUBCHEM.COMPOUND:6104", + "drugbank": "DB:DB09121" + }, + "links": [ + { + "key": "negatively regulates", + "source": "PUBCHEM.COMPOUND:6104", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MONDO:0011429" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D006051", + "label": "Drug", + "name": "Aurothioglucose" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "Inflammatory response" + }, + { + "id": "MESH:D001171", + "label": "Disease", + "name": "Juvenile rheumatoid arthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09121", + "https://en.wikipedia.org/wiki/Gold_salts#Mechanism_in_arthritis" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09270_MESH_D006333_1", + "disease": "Congestive heart failure", + "disease_mesh": "MONDO:0005252", + "drug": "Ubidecarenone", + "drug_mesh": "MESH:C010524", + "drugbank": "DB:DB09270" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C010524", + "target": "UniProt:P56181" + }, + { + "key": "increases activity of", + "source": "MESH:C010524", + "target": "UniProt:P31040" + }, + { + "key": "positively regulates", + "source": "UniProt:P56181", + "target": "GO:0042773" + }, + { + "key": "positively regulates", + "source": "UniProt:P31040", + "target": "GO:0042773" + }, + { + "key": "increases abundance of", + "source": "GO:0042773", + "target": "CHEBI:15422" + }, + { + "key": "participates in", + "source": "CHEBI:15422", + "target": "GO:0060047" + }, + { + "key": "negatively correlated with", + "source": "GO:0060047", + "target": "MONDO:0005252" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C010524", + "label": "Drug", + "name": "Ubidecarenone" + }, + { + "id": "UniProt:P56181", + "label": "Protein", + "name": "NADH dehydrogenase [ubiquinone] flavoprotein 3, mitochondrial" + }, + { + "id": "UniProt:P31040", + "label": "Protein", + "name": "Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial" + }, + { + "id": "GO:0042773", + "label": "BiologicalProcess", + "name": "ATP synthesis coupled electron transport" + }, + { + "id": "CHEBI:15422", + "label": "ChemicalSubstance", + "name": "ATP" + }, + { + "id": "GO:0060047", + "label": "BiologicalProcess", + "name": "Heart contraction" + }, + { + "id": "MESH:D006333", + "label": "Drug", + "name": "Congestive heart failure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09270#BE0000176" + ] + }, + { + "comments": "Although the mechanism of action has not been determined, orphenadrine appears to be a nonselective muscarinic antagonist https://en.wikipedia.org/wiki/Orphenadrine#Pharmacology Parkinsonian syndromes are often the consequence of a disturbed balance between cholinergic and dopaminergic neurotransmission in the basal ganglia caused by a decrease in dopamine. Anicholinergic drugs restore the physiological equilibrium and has a favourable effect on the rigidity and tremor of and Parkinsonian syndromes https://www.cell.com/neuron/fulltext/S0896-6273(19)30563-X.", + "directed": true, + "graph": { + "_id": "DB01173_MESH_D020734_2", + "disease": "Parkinsonism", + "disease_mesh": "MONDO:0021095", + "drug": "Orphenadrine", + "drug_mesh": "CHEBI:7789", + "drugbank": "DB:DB01173" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:7789", + "target": "reactome:R-HSA-390648" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-390648", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "MONDO:0021095" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009966", + "label": "Drug", + "name": "Orphenadrine" + }, + { + "id": "reactome:R-HSA-390648", + "label": "Pathway", + "name": "Muscarinic acetylcholine receptors" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "Synaptic transmission, cholinergic" + }, + { + "id": "MESH:D020734", + "label": "Disease", + "name": "Parkinsonism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01173", + "https://en.wikipedia.org/wiki/Parkinsonism" + ] + }, + { + "comment": "Orphenadrine works centrally and interferes with reflex pathways for pain and skeletal muscle contraction. The precise mechanism of action of orphenadrine is not known, but it appears to indirectly relieve muscle spasm through central atropine-like effects, although its mild antihistaminic activity may have a role.", + "directed": true, + "graph": { + "_id": "DB01173_MESH_D009128_2", + "disease": "Spasticity", + "disease_mesh": "HP:0001257", + "drug": "Orphenadrine", + "drug_mesh": "CHEBI:7789", + "drugbank": "DB:DB01173" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:7789", + "target": "HP:0001257" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009966", + "label": "Drug", + "name": "Orphenadrine" + }, + { + "id": "MESH:D009128", + "label": "Disease", + "name": "Spasticity" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01173#BE0000396", + "https://pubmed.ncbi.nlm.nih.gov/1864455/", + "https://pubmed.ncbi.nlm.nih.gov/25050056/" + ] + }, + { + "comments": "Although the mechanism of action has not been determined, orphenadrine appears to be a nonselective muscarinic antagonist https://en.wikipedia.org/wiki/Orphenadrine#Pharmacology Parkinsonian syndromes are often the consequence of a disturbed balance between cholinergic and dopaminergic neurotransmission in the basal ganglia caused by a decrease in dopamine. Muscarinic antagonists restore the physiological equilibrium and has a favourable effect on the rigidity and tremor of and Parkinsonian syndromes https://www.cell.com/neuron/fulltext/S0896-6273(19)30563-X.", + "directed": true, + "graph": { + "_id": "DB01173_MESH_D020734_3", + "disease": "Parkinsonism", + "disease_mesh": "MONDO:0021095", + "drug": "Orphenadrine", + "drug_mesh": "CHEBI:7789", + "drugbank": "DB:DB01173" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:7789", + "target": "reactome:R-HSA-390648" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-390648", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "MONDO:0021095" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009966", + "label": "Drug", + "name": "Orphenadrine" + }, + { + "id": "reactome:R-HSA-390648", + "label": "Pathway", + "name": "Muscarinic acetylcholine receptors" + }, + { + "id": 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"https://go.drugbank.com/drugs/DB08808#mechanism-of-action" + ] + }, + { + "comment": "Disease is also known as Infection by Onchocerca volvulus as per the original file.", + "directed": true, + "graph": { + "_id": "DB00602_MESH_D009855_2", + "disease": "Onchocerciasis", + "disease_mesh": "MONDO:0017137", + "drug": "ivermectin", + "drug_mesh": "PUBCHEM.COMPOUND:9812710", + "drugbank": "DB:DB00602" + }, + "links": [ + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:9812710", + "target": "InterPro:IPR015680" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR015680", + "target": "GO:0005254" + }, + { + "key": "positively correlated with", + "source": "GO:0005254", + "target": "GO:0060081" + }, + { + "key": "negatively regulates", + "source": "GO:0060081", + "target": "GO:0099565" + }, + { + "key": "in taxon", + "source": "GO:0099565", + "target": "taxonomy:6282" + }, + { + "key": "causes", + "source": "taxonomy:6282", + "target": "MONDO:0017137" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007559", + "label": "Drug", + "name": "ivermectin" + }, + { + "id": "InterPro:IPR015680", + "label": "GeneFamily", + "name": "Glutamate-Gated Chloride Channel" + }, + { + "id": "GO:0005254", + "label": "MolecularActivity", + "name": "chloride channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0099565", + "label": "BiologicalProcess", + "name": "chemical synaptic transmission, postsynaptic" + }, + { + "id": "taxonomy:6282", + "label": "OrganismTaxon", + "name": "Onchocerca volvulus" + }, + { + "id": "MESH:D009855", + "label": "Disease", + "name": "Onchocerciasis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Ivermectin#Mechanism_of_action", + "https://go.drugbank.com/drugs/DB00602#mechanism-of-action", + "https://en.wikipedia.org/wiki/Onchocerciasis#Ivermectin" + ] + }, + { + "comment": "Disease is denoted Infection by Strongyloides in the original file.", + "directed": true, + "graph": { + "_id": "DB00602_MESH_D013322_1", + "disease": "Strongyloidiasis", + "disease_mesh": "MONDO:0005974", + "drug": "ivermectin", + "drug_mesh": "PUBCHEM.COMPOUND:9812710", + "drugbank": "DB:DB00602" + }, + "links": [ + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:9812710", + "target": "InterPro:IPR015680" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR015680", + "target": "GO:0005254" + }, + { + "key": "positively correlated with", + "source": "GO:0005254", + "target": "GO:0060081" + }, + { + "key": "negatively regulates", + "source": "GO:0060081", + "target": "GO:0099565" + }, + { + "key": "in taxon", + "source": "GO:0099565", + "target": "taxonomy:6248" + }, + { + "key": "causes", + "source": "taxonomy:6248", + "target": "MONDO:0005974" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007559", + "label": "Drug", + "name": "ivermectin" + }, + { + "id": "InterPro:IPR015680", + "label": "GeneFamily", + "name": "Glutamate-Gated Chloride Channel" + }, + { + "id": "GO:0005254", + "label": "MolecularActivity", + "name": "chloride channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0099565", + "label": "BiologicalProcess", + "name": "chemical synaptic transmission, postsynaptic" + }, + { + "id": "taxonomy:6248", + "label": "OrganismTaxon", + "name": "Strongyloides stercoralis" + }, + { + "id": "MESH:D013322", + "label": "Disease", + "name": "Strongyloidiasis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Ivermectin#Mechanism_of_action", + "https://go.drugbank.com/drugs/DB00602#mechanism-of-action", + "https://en.wikipedia.org/wiki/Strongyloidiasis#Treatment" + ] + }, + { + "comment": "Balsalazide is a prodrug and it releases mesalazine in the large intestine, the active site of ulcerative colitis (https://en.wikipedia.org/wiki/Balsalazide https://en.wikipedia.org/wiki/Mesalazine#Chemistry).", + "directed": true, + "graph": { + "_id": "DB01014_MESH_D003093_1", + "disease": "Ulcerative colitis", + "disease_mesh": "MONDO:0005101", + "drug": "balsalazide", + "drug_mesh": "UNII:P80AL8J7ZP", + "drugbank": "DB:DB01014" + }, + "links": [ + { + "key": "has metabolite", + "source": "UNII:P80AL8J7ZP", + "target": "CHEBI:6775" + }, + { + "key": "decreases activity of", + "source": "CHEBI:6775", + "target": "UniProt:P35354" + }, + { + "key": "decreases activity of", + "source": "CHEBI:6775", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "CHEBI:6775", + "target": "UniProt:O15111" + }, + { + "key": "decreases activity of", + "source": "CHEBI:6775", + "target": "UniProt:O14920" + }, + { + "key": "positively regulates", + "source": "UniProt:O14920", + "target": "GO:0007249" + }, + { + "key": "positively regulates", + "source": "UniProt:O15111", + "target": "GO:0007249" + }, + { + "key": "positively correlated with", + "source": "GO:0007249", + "target": "GO:0006954" + }, + { + "key": "decreases activity of", + "source": "CHEBI:6775", + "target": "UniProt:P09917" + }, + { + "key": "increases activity of", + "source": "CHEBI:6775", + "target": "UniProt:P37231" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P37231", + "target": "reactome:R-HSA-1169091" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-1169091", + "target": "GO:0006954" + }, + { + "key": "participates in", + "source": "UniProt:P09917", + "target": "reactome:R-HSA-2142691" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2162123", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-2142691", + "target": "GO:0006954" + }, + { + "key": "located in", + "source": "GO:0006954", + "target": "UBERON:0001052" + }, + { + "key": "located in", + "source": "GO:0006954", + "target": "UBERON:0001155" + }, + { + "key": "location of", + "source": "UBERON:0001052", + "target": "MONDO:0005101" + }, + { + "key": "location of", + "source": "UBERON:0001155", + "target": "MONDO:0005101" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C038637", + "label": "Drug", + "name": "balsalazide" + }, + { + "id": "MESH:D019804", + "label": "ChemicalSubstance", + "name": "Mesalamine" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "UniProt:P09917", + "label": "Protein", + "name": "Polyunsaturated fatty acid 5-lipoxygenase" + }, + { + "id": "UniProt:P37231", + "label": "Protein", + "name": "Peroxisome proliferator-activated receptor gamma" + }, + { + "id": "UniProt:O15111", + "label": "Protein", + "name": "Inhibitor of nuclear factor kappa-B kinase subunit alpha" + }, + { + "id": "UniProt:O14920", + "label": "Protein", + "name": "Inhibitor of nuclear factor kappa-B kinase subunit beta" + }, + { + "id": "GO:0007249", + "label": "BiologicalProcess", + "name": "I-kappaB kinase/NF-kappaB signaling" + }, + { + "id": "reactome:R-HSA-2142691", + "label": "Pathway", + "name": "Synthesis of Leukotrienes (LT) and Eoxins (EX)" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "reactome:R-HSA-1169091", + "label": "Pathway", + "name": "Activation of NF-kappaB in B cells" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "UBERON:0001052", + "label": "GrossAnatomicalStructure", + "name": "rectum" + }, + { + "id": "UBERON:0001155", + "label": "GrossAnatomicalStructure", + "name": "colon" + }, + { + "id": "MESH:D003093", + "label": "Disease", + "name": "Ulcerative colitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01014#mechanism-of-action", + "https://go.drugbank.com/drugs/DB00244#mechanism-of-action", + "https://pubmed.ncbi.nlm.nih.gov/20151072/", + "https://go.drugbank.com/drugs/DB00244#BE0004655", + "https://en.wikipedia.org/wiki/CHUK#Clinical_significance", + "https://en.wikipedia.org/wiki/IKK2#Clinical_significance" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01224_MESH_D012559_1", + "disease": "Schizophrenia", + "disease_mesh": "MONDO:0005090", + "drug": "quetiapine", + "drug_mesh": "PUBCHEM.COMPOUND:25058200", + "drugbank": "DB:DB01224" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:25058200", + "target": "UniProt:P14416" + }, + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:25058200", + "target": "UniProt:P28223" + }, + { + "key": "positively regulates", + "source": "UniProt:P28223", + "target": "GO:0014046" + }, + { + "key": "positively regulates", + "source": "UniProt:P14416", + "target": "GO:0014046" + }, + { + "key": "increases abundance of", + "source": "GO:0014046", + "target": "CHEBI:18243" + }, + { + "key": "located in", + "source": "CHEBI:18243", + "target": "UBERON:0001910" + }, + { + "key": "correlated with", + "source": "UBERON:0001910", + "target": "MONDO:0005485" + }, + { + "key": "positively correlated with", + "source": "MONDO:0005485", + "target": "MONDO:0005090" + }, + { + "key": "located in", + "source": "CHEBI:18243", + "target": "UBERON:0009834" + }, + { + "key": "correlated with", + "source": "UBERON:0009834", + "target": "HP:0100543" + }, + { + "key": "correlated with", + "source": "UBERON:0009834", + "target": "HP:0030213" + }, + { + "key": "correlated with", + "source": "UBERON:0009834", + "target": "HP:0012154" + }, + { + "key": "correlated with", + "source": "UBERON:0009834", + "target": "HP:0002465" + }, + { + "key": "correlated with", + "source": "UBERON:0009834", + "target": "HP:0000741" + }, + { + "key": "positively correlated with", + "source": "HP:0100543", + "target": "MONDO:0005090" + }, + { + "key": "positively correlated with", + "source": "HP:0030213", + "target": "MONDO:0005090" + }, + { + "key": "positively correlated with", + "source": "HP:0012154", + "target": "MONDO:0005090" + }, + { + "key": "positively correlated with", + "source": "HP:0002465", + "target": "MONDO:0005090" + }, + { + "key": "positively correlated with", + "source": "HP:0000741", + "target": "MONDO:0005090" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069348", + "label": "Drug", + "name": "quetiapine" + }, + { + "id": "UniProt:P28223", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 2A" + }, + { + "id": "UniProt:P14416", + "label": "Protein", + "name": "D(2) dopamine receptor" + }, + { + "id": "GO:0014046", + "label": "BiologicalProcess", + "name": "dopamine secretion" + }, + { + "id": "CHEBI:18243", + "label": "ChemicalSubstance", + "name": "dopamine" + }, + { + "id": "UBERON:0009834", + "label": "GrossAnatomicalStructure", + "name": "dorsolateral prefrontal cortex" + }, + { + "id": "UBERON:0001910", + "label": "GrossAnatomicalStructure", + "name": "medial forebrain bundle" + }, + { + "id": "HP:0100543", + "label": "PhenotypicFeature", + "name": "Cognitive impairment" + }, + { + "id": "HP:0030213", + "label": "PhenotypicFeature", + "name": "Emotional blunting" + }, + { + "id": "HP:0012154", + "label": "PhenotypicFeature", + "name": "Anhedonia" + }, + { + "id": "HP:0002465", + "label": "PhenotypicFeature", + "name": "Poor speech" + }, + { + "id": "HP:0000741", + "label": "PhenotypicFeature", + "name": "Apathy" + }, + { + "id": "HP:0000709", + "label": "PhenotypicFeature", + "name": "Psychosis" + }, + { + "id": "MESH:D012559", + "label": "Disease", + "name": "Schizophrenia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01224#mechanism-of-action", + "https://go.drugbank.com/drugs/DB01224#BE0000451", + "https://go.drugbank.com/drugs/DB01224#BE0000756" + ] + }, + { + "comment": "Imatinib also modulates other protein targets and is an indication for other malignancies (https://en.wikipedia.org/wiki/Imatinib#Medical_uses).", + "directed": true, + "graph": { + "_id": "DB00619_MESH_D015466_1", + "disease": "Chronic phase chronic myeloid leukemia", + "disease_mesh": "UMLS:C0023474", + "drug": "imatinib", + "drug_mesh": "PUBCHEM.COMPOUND:123596", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:123596", + "target": "MESH:D016044" + }, + { + "key": "positively regulates", + "source": "MESH:D016044", + "target": "GO:0004674" + }, + { + "key": "positively correlated with", + "source": "GO:0004674", + "target": "GO:0007266" + }, + { + "key": "positively correlated with", + "source": "GO:0007266", + "target": "GO:0008283" + }, + { + "key": "negatively correlated with", + "source": "GO:0007266", + "target": "GO:0006915" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "UMLS:C0023474" + }, + { + "key": "negatively correlated with", + "source": "GO:0006915", + "target": "UMLS:C0023474" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "MESH:D016044", + "label": "Protein", + "name": "Fusion Proteins, bcr-abl" + }, + { + "id": "GO:0004674", + "label": "MolecularActivity", + "name": "protein serine/threonine kinase activity" + }, + { + "id": "GO:0007266", + "label": "BiologicalProcess", + "name": "Rho protein signal transduction" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "GO:0006915", + "label": "BiologicalProcess", + "name": "apoptotic process" + }, + { + "id": "MESH:D015466", + "label": "Disease", + "name": "Chronic phase chronic myeloid leukemia" + } + ], + "reference": [ + "https://www.cancer.gov/publications/dictionaries/cancer-drug/def/imatinib-mesylate", + "https://go.drugbank.com/drugs/DB00619#mechanism-of-action", + "https://en.wikipedia.org/wiki/Imatinib#Chronic_myelogenous_leukemia" + ] + }, + { + "comments": "The disease is denoted Blastic phase chronic myeloid leukemia in the original file.", + "directed": true, + "graph": { + "_id": "DB00619_MESH_D001752_1", + "disease": "Blast Crisis", + "disease_mesh": "MONDO:0006115", + "drug": "imatinib", + "drug_mesh": "PUBCHEM.COMPOUND:123596", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:123596", + "target": "MESH:D016044" + }, + { + "key": "positively correlated with", + "source": "MESH:D016044", + "target": "GO:0007266" + }, + { + "key": "positively correlated with", + "source": "GO:0007266", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "HP:0001974" + }, + { + "key": "manifestation of", + "source": "HP:0001974", + "target": "MONDO:0006115" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "MESH:D016044", + "label": "Protein", + "name": "Fusion Proteins, bcr-abl" + }, + { + "id": "GO:0007266", + "label": "BiologicalProcess", + "name": "Rho protein signal transduction" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "HP:0001974", + "label": "PhenotypicFeature", + "name": "Leukocytosis" + }, + { + "id": "MESH:D001752", + "label": "Disease", + "name": "Blast Crisis" + } + ], + "reference": [ + "https://www.cancer.gov/publications/dictionaries/cancer-drug/def/imatinib-mesylate", + "https://en.wikipedia.org/wiki/Leukocytosis#Causes", + "https://en.wikipedia.org/wiki/Chronic_myelogenous_leukemia#Chronic_phase_2" + ] + }, + { + "comment": "The disease is also known as Chronic eosinophilic leukemia as per the original file. The malignancy is driven by FIP1L1-PDGFRA fusion genes (https://en.wikipedia.org/wiki/FIP1L1#FIP1L1-PDGFRA_fusion_genes).", + "directed": true, + "graph": { + "_id": "DB00619_MESH_C580364_1", + "disease": "Pdgfra-Associated Chronic Eosinophilic Leukemia", + "disease_mesh": "MONDO:0015687", + "drug": "imatinib", + "drug_mesh": "PUBCHEM.COMPOUND:123596", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:123596", + "target": "UniProt:P16234" + }, + { + "key": "positively regulates", + "source": "UniProt:P16234", + "target": "GO:0048008" + }, + { + "key": "positively correlated with", + "source": "GO:0048008", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MONDO:0015691" + }, + { + "key": "manifestation of", + "source": "MONDO:0015691", + "target": "MONDO:0015687" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "UniProt:P16234", + "label": "Protein", + "name": "Platelet-derived growth factor receptor alpha" + }, + { + "id": "GO:0048008", + "label": "BiologicalProcess", + "name": "platelet-derived growth factor receptor signaling pathway" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "HP:0001880", + "label": "PhenotypicFeature", + "name": "Eosinophilia" + }, + { + "id": "MESH:C580364", + "label": "Disease", + "name": "Pdgfra-Associated Chronic Eosinophilic Leukemia" + } + ], + "reference": [ + "https://www.cancer.gov/publications/dictionaries/cancer-drug/def/imatinib-mesylate", + "https://go.drugbank.com/drugs/DB00619#BE0000205", + "https://go.drugbank.com/drugs/DB00619#BE0000852", + "https://en.wikipedia.org/wiki/Chronic_eosinophilic_leukemia", + "https://en.wikipedia.org/wiki/Eosinophilia#Chronic_eosinophilic_leukemia_(NOS)", + "https://en.wikipedia.org/wiki/Imatinib#Other" + ] + }, + { + "comment": "The disease is also known as Idiopathic hypereosinophilic syndrome as per the original file. Treatment with imatinib is indicated for patients who have a PDGFRA-FIP1L1 chimera, where PDGR, a tyrosine kinase (https://en.wikipedia.org/wiki/Hypereosinophilic_syndrome#Diagnosis) and an oncogene (https://en.wikipedia.org/wiki/Oncogene#Classification) is fused with FIP1L1, giving rise to a PDGFRA-FIP1L1 chimera.", + "directed": true, + "graph": { + "_id": "DB00619_MESH_D017681_1", + "disease": "Hypereosinophilic Syndrome", + "disease_mesh": "MONDO:0015691", + "drug": "imatinib", + "drug_mesh": "PUBCHEM.COMPOUND:123596", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:123596", + "target": "UniProt:P16234" + }, + { + "key": "positively regulates", + "source": "UniProt:P16234", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MONDO:0015691" + }, + { + "key": "manifestation of", + "source": "MONDO:0015691", + "target": "MONDO:0015691" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "UniProt:P16234", + "label": "Protein", + "name": "Platelet-derived growth factor receptor alpha" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "HP:0001880", + "label": "PhenotypicFeature", + "name": "Eosinophilia" + }, + { + "id": "MESH:D017681", + "label": "Disease", + "name": "Hypereosinophilic Syndrome" + } + ], + "reference": [ + "https://www.cancer.gov/publications/dictionaries/cancer-drug/def/imatinib-mesylate", + "https://go.drugbank.com/drugs/DB00619#BE0000205", + "https://go.drugbank.com/drugs/DB00619#BE0000852", + "https://en.wikipedia.org/wiki/Imatinib#Other" + ] + }, + { + "comment": "The majority of Gastrointestinal stromal tumor patients have mutations on the KIT or PDGFRA genes (95% of all patients).", + "directed": true, + "graph": { + "_id": "DB00619_MESH_D046152_1", + "disease": "Gastrointestinal stromal tumor", + "disease_mesh": "MONDO:0011719", + "drug": "imatinib", + "drug_mesh": "PUBCHEM.COMPOUND:123596", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:123596", + "target": "UniProt:P10721" + }, + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:123596", + "target": "UniProt:P16234" + }, + { + "key": "positively regulates", + "source": "UniProt:P16234", + "target": "GO:0035790" + }, + { + "key": "positively correlated with", + "source": "GO:0035790", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0035790", + "target": "MESH:D002470" + }, + { + "key": "positively regulates", + "source": "UniProt:P10721", + "target": "GO:0038109" + }, + { + "key": "positively correlated with", + "source": "GO:0038109", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0038109", + "target": "MESH:D002470" + }, + { + "key": "positively correlated with", + "source": "GO:0038109", + "target": "GO:0030154" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MONDO:0011719" + }, + { + "key": "positively correlated with", + "source": "MESH:D002470", + "target": "MONDO:0011719" + }, + { + "key": "positively correlated with", + "source": "GO:0030154", + "target": "MONDO:0011719" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "UniProt:P10721", + "label": "Protein", + "name": "Mast/stem cell growth factor receptor Kit" + }, + { + "id": "UniProt:P16234", + "label": "Protein", + "name": "Platelet-derived growth factor receptor alpha" + }, + { + "id": "GO:0035790", + "label": "BiologicalProcess", + "name": "platelet-derived growth factor receptor-alpha signaling pathway" + }, + { + "id": "GO:0038109", + "label": "BiologicalProcess", + "name": "Kit signaling pathway" + }, + { + "id": "GO:0030154", + "label": "BiologicalProcess", + "name": "cell differentiation" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "MESH:D002470", + "label": "BiologicalProcess", + "name": "Cell Survival" + }, + { + "id": "MESH:D046152", + "label": "Disease", + "name": "Gastrointestinal stromal tumor" + } + ], + "reference": [ + "https://www.cancer.gov/publications/dictionaries/cancer-drug/def/imatinib-mesylate", + "https://en.wikipedia.org/wiki/Imatinib#Gastrointestinal_stromal_tumors", + "https://go.drugbank.com/drugs/DB00619#BE0000453", + "https://go.drugbank.com/drugs/DB00619#BE0000852" + ] + }, + { + "comment": "The majority of dermatofibrosarcoma tumours have two genes fused due to a translocation involving the collagen gene (COL1A1) and the platelet-derived growth factor (PDGF). The latter can be further subdivided giving rise to PDGFA, for example, which is an oncogene.", + "directed": true, + "graph": { + "_id": "DB00619_MESH_D018223_1", + "disease": "Dermatofibrosarcoma", + "disease_mesh": "MONDO:0011934", + "drug": "imatinib", + "drug_mesh": "PUBCHEM.COMPOUND:123596", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:123596", + "target": "UniProt:P16234" + }, + { + "key": "positively regulates", + "source": "UniProt:P16234", + "target": "GO:0030154" + }, + { + "key": "positively regulates", + "source": "UniProt:P16234", + "target": "GO:0008283" + }, + { + "key": "positively regulates", + "source": "UniProt:P16234", + "target": "MESH:D002470" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MONDO:0011934" + }, + { + "key": "positively correlated with", + "source": "MESH:D002470", + "target": "MONDO:0011934" + }, + { + "key": "positively correlated with", + "source": "GO:0030154", + "target": "MONDO:0011934" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "UniProt:P16234", + "label": "Protein", + "name": "Platelet-derived growth factor receptor alpha" + }, + { + "id": "GO:0030154", + "label": "BiologicalProcess", + "name": "cell differentiation" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "MESH:D002470", + "label": "BiologicalProcess", + "name": "Cell Survival" + }, + { + "id": "MESH:D018223", + "label": "Disease", + "name": "Dermatofibrosarcoma" + } + ], + "reference": [ + "https://www.cancer.gov/publications/dictionaries/cancer-drug/def/imatinib-mesylate", + "https://en.wikipedia.org/wiki/Dermatofibrosarcoma_protuberans#Pathophysiology", + "https://en.wikipedia.org/wiki/Imatinib#Dermatofibrosarcoma_protuberans_(DFSP)" + ] + }, + { + "comments": "The disease is denoted Systemic mast cell disease in the original file.", + "directed": true, + "graph": { + "_id": "DB00619_MESH_D034721_2", + "disease": "Mastocytosis, Systemic", + "disease_mesh": "MONDO:0016586", + "drug": "imatinib", + "drug_mesh": "PUBCHEM.COMPOUND:123596", + "drugbank": "DB:DB00619" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:123596", + "target": "UniProt:P10721" + }, + { + "key": "positively regulates", + "source": "UniProt:P10721", + "target": "GO:0038109" + }, + { + "key": "positively correlated with", + "source": "GO:0038109", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0038109", + "target": "MESH:D002470" + }, + { + "key": "positively correlated with", + "source": "GO:0038109", + "target": "GO:0030154" + }, + { + "key": "increases abundance of", + "source": "GO:0008283", + "target": "UMLS:C0024880" + }, + { + "key": "correlated with", + "source": "UMLS:C0024880", + "target": "MONDO:0016586" + }, + { + "key": "positively correlated with", + "source": "MESH:D002470", + "target": "MONDO:0016586" + }, + { + "key": "positively correlated with", + "source": "GO:0030154", + "target": "MONDO:0016586" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000068877", + "label": "Drug", + "name": "imatinib" + }, + { + "id": "UniProt:P10721", + "label": "Protein", + "name": "Mast/stem cell growth factor receptor Kit" + }, + { + "id": "GO:0038109", + "label": "BiologicalProcess", + "name": "Kit signaling pathway" + }, + { + "id": "GO:0030154", + "label": "BiologicalProcess", + "name": "cell differentiation" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "MESH:D002470", + "label": "BiologicalProcess", + "name": "Cell Survival" + }, + { + "id": "MESH:D008407", + "label": "Cell", + "name": "Mast Cells" + }, + { + "id": "MESH:D034721", + "label": "Disease", + "name": "Mastocytosis, Systemic" + } + ], + "reference": [ + "https://www.cancer.gov/publications/dictionaries/cancer-drug/def/imatinib-mesylate", + "https://go.drugbank.com/drugs/DB00619#BE0000453" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00661_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MONDO:0005044", + "drug": "verapamil", + "drug_mesh": "CHEBI:77733", + "drugbank": "DB:DB00661" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:77733", + "target": "InterPro:IPR005446" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005446", + "target": "GO:0060402" + }, + { + "key": "positively correlated with", + "source": "GO:0060402", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0033533" + }, + { + "key": "positively correlated with", + "source": "HP:0033533", + "target": "HP:0032263" + }, + { + "key": "manifestation of", + "source": "HP:0032263", + "target": "MONDO:0005044" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014700", + "label": "Drug", + "name": "verapamil" + }, + { + "id": "InterPro:IPR005446", + "label": "GeneFamily", + "name": "Voltage-dependent calcium channel, L-type, alpha-1 subunit" + }, + { + "id": "GO:0060402", + "label": "BiologicalProcess", + "name": "calcium ion transport into cytosol" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0033533", + "label": "PhenotypicFeature", + "name": "Increased cardiac output" + }, + { + "id": "HP:0032263", + "label": "PhenotypicFeature", + "name": "Increased blood pressure" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00661#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL6966/", + "https://en.wikipedia.org/wiki/Verapamil#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Antiarrhythmic_agent#Class_IV_agents" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00661_MESH_D001281_1", + "disease": "Atrial fibrillation", + "disease_mesh": "MONDO:0004981", + "drug": "verapamil", + "drug_mesh": "CHEBI:77733", + "drugbank": "DB:DB00661" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:77733", + "target": "InterPro:IPR005446" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005446", + "target": "GO:0061337" + }, + { + "key": "positively correlated with", + "source": "GO:0061337", + "target": "GO:0060047" + }, + { + "key": "positively correlated with", + "source": "GO:0060047", + "target": "HP:0001692" + }, + { + "key": "manifestation of", + "source": "HP:0001692", + "target": "MONDO:0004981" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014700", + "label": "Drug", + "name": "verapamil" + }, + { + "id": "InterPro:IPR005446", + "label": "GeneFamily", + "name": "Voltage-dependent calcium channel, L-type, alpha-1 subunit" + }, + { + "id": "GO:0061337", + "label": "BiologicalProcess", + "name": "cardiac conduction" + }, + { + "id": "GO:0060047", + "label": "BiologicalProcess", + "name": "heart contraction" + }, + { + "id": "HP:0001692", + "label": "PhenotypicFeature", + "name": "Atrial arrhythmia" + }, + { + "id": "MESH:D001281", + "label": "Disease", + "name": "Atrial fibrillation" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00661#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL6966/", + "https://en.wikipedia.org/wiki/Verapamil#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Antiarrhythmic_agent#Class_IV_agents", + "https://en.wikipedia.org/wiki/Atrial_fibrillation#Rate_control" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00661_MESH_D054058_1", + "disease": "Acute coronary syndrome", + "disease_mesh": "MONDO:0005542", + "drug": "verapamil", + "drug_mesh": "CHEBI:77733", + "drugbank": "DB:DB00661" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:77733", + "target": "InterPro:IPR005446" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005446", + "target": "GO:0060402" + }, + { + "key": "positively correlated with", + "source": "GO:0060402", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0033401" + }, + { + "key": "positively correlated with", + "source": "HP:0033401", + "target": "MONDO:0005542" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014700", + "label": "Drug", + "name": "verapamil" + }, + { + "id": "InterPro:IPR005446", + "label": "GeneFamily", + "name": "Voltage-dependent calcium channel, L-type, alpha-1 subunit" + }, + { + "id": "GO:0060402", + "label": "BiologicalProcess", + "name": "calcium ion transport into cytosol" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0033401", + "label": "PhenotypicFeature", + "name": "Tissue ischemia" + }, + { + "id": "MESH:D054058", + "label": "Disease", + "name": "Acute coronary syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00661#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL6966/", + "https://en.wikipedia.org/wiki/Verapamil#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Antiarrhythmic_agent#Class_IV_agents" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00661_MESH_D000787_1", + "disease": "Angina pectoris", + "disease_mesh": "HP:0001681", + "drug": "verapamil", + "drug_mesh": "CHEBI:77733", + "drugbank": "DB:DB00661" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:77733", + "target": "InterPro:IPR005446" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005446", + "target": "GO:0060402" + }, + { + "key": "positively correlated with", + "source": "GO:0060402", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0033401" + }, + { + "key": "positively correlated with", + "source": "HP:0033401", + "target": "HP:0001681" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014700", + "label": "Drug", + "name": "verapamil" + }, + { + "id": "InterPro:IPR005446", + "label": "GeneFamily", + "name": "Voltage-dependent calcium channel, L-type, alpha-1 subunit" + }, + { + "id": "GO:0060402", + "label": "BiologicalProcess", + "name": "calcium ion transport into cytosol" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0033401", + "label": "PhenotypicFeature", + "name": "Tissue ischemia" + }, + { + "id": "MESH:D000787", + "label": "Disease", + "name": "Angina pectoris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00661#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL6966/", + "https://en.wikipedia.org/wiki/Verapamil#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Antiarrhythmic_agent#Class_IV_agents", + "https://en.wikipedia.org/wiki/Angina#Treatment" + ] + }, + { + "comment": "The disease is also known as as Prinzmetal angina.", + "directed": true, + "graph": { + "_id": "DB00661_MESH_D000788_1", + "disease": "Angina Pectoris, Variant", + "disease_mesh": "MONDO:0006021", + "drug": "verapamil", + "drug_mesh": "CHEBI:77733", + "drugbank": "DB:DB00661" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:77733", + "target": "InterPro:IPR005446" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005446", + "target": "GO:0060402" + }, + { + "key": "positively correlated with", + "source": "GO:0060402", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0033401" + }, + { + "key": "positively correlated with", + "source": "HP:0033401", + "target": "MONDO:0006021" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014700", + "label": "Drug", + "name": "verapamil" + }, + { + "id": "InterPro:IPR005446", + "label": "GeneFamily", + "name": "Voltage-dependent calcium channel, L-type, alpha-1 subunit" + }, + { + "id": "GO:0060402", + "label": "BiologicalProcess", + "name": "calcium ion transport into cytosol" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0033401", + "label": "PhenotypicFeature", + "name": "Tissue ischemia" + }, + { + "id": "MESH:D000788", + "label": "Disease", + "name": "Angina Pectoris, Variant" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00661#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL6966/", + "https://en.wikipedia.org/wiki/Verapamil#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Antiarrhythmic_agent#Class_IV_agents", + "https://en.wikipedia.org/wiki/Variant_angina#Maintenance" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09167_MESH_D003865_1", + "disease": "Major depressive disorder", + "disease_mesh": "MONDO:0002009", + "drug": "dosulepin", + "drug_mesh": "CHEBI:36798", + "drugbank": "DB:DB09167" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:36798", + "target": "UniProt:P31645" + }, + { + "key": "negatively regulates", + "source": "CHEBI:36798", + "target": "UniProt:P23975" + }, + { + "key": "positively regulates", + "source": "UniProt:P31645", + "target": "GO:0051610" + }, + { + "key": "positively regulates", + "source": "UniProt:P23975", + "target": "GO:0051620" + }, + { + "key": "positively correlated with", + "source": "GO:0051620", + "target": "MONDO:0002050" + }, + { + "key": "positively correlated with", + "source": "GO:0051610", + "target": "MONDO:0002050" + }, + { + "key": "manifestation of", + "source": "MONDO:0002050", + "target": "MONDO:0002009" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004308", + "label": "Drug", + "name": "dosulepin" + }, + { + "id": "UniProt:P31645", + "label": "Protein", + "name": "Sodium-dependent serotonin transporter" + }, + { + "id": "UniProt:P23975", + "label": "Protein", + "name": "Sodium-dependent noradrenaline transporter" + }, + { + "id": "GO:0051610", + "label": "BiologicalProcess", + "name": "serotonin uptake" + }, + { + "id": "GO:0051620", + "label": "BiologicalProcess", + "name": "norepinephrine uptake" + }, + { + "id": "HP:0000716", + "label": "PhenotypicFeature", + "name": "Depressivity" + }, + { + "id": "MESH:D003865", + "label": "Disease", + "name": "Major depressive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09167#BE0000486", + "https://go.drugbank.com/drugs/DB09167#BE0000749", + "https://en.wikipedia.org/wiki/Dosulepin#Pharmacodynamics", + "https://pubmed.ncbi.nlm.nih.gov/2670509/" + ] + }, + { + "comments": "The disease is denoted as Bipolar affective disorder, current episode depression in the original file. It seems that either Quetiapine or its metabolite (Norquetiapine, also known as N-desalkylquetiapine) could bind to UniProt:P23975 and inhibit its function and is associated with lower synaptic norepinephrine levels (https://en.wikipedia.org/wiki/Quetiapine#Pharmacokinetics https://www.ebi.ac.uk/chembl/document_report_card/CHEMBL3526075/).", + "directed": true, + "graph": { + "_id": "DB01224_MESH_D001714_1", + "disease": "Bipolar Disorder", + "disease_mesh": "MONDO:0004985", + "drug": "quetiapine", + "drug_mesh": "PUBCHEM.COMPOUND:25058200", + "drugbank": "DB:DB01224" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:25058200", + "target": "UniProt:P23975" + }, + { + "key": "positively regulates", + "source": "UniProt:P23975", + "target": "GO:0051620" + }, + { + "key": "positively correlated with", + "source": "GO:0051620", + "target": "MONDO:0002050" + }, + { + "key": "positively correlated with", + "source": "GO:0051620", + "target": "HP:0100754" + }, + { + "key": "manifestation of", + "source": "MONDO:0002050", + "target": "MONDO:0004985" + }, + { + "key": "manifestation of", + "source": "HP:0100754", + "target": "MONDO:0004985" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069348", + "label": "Drug", + "name": "quetiapine" + }, + { + "id": "UniProt:P23975", + "label": "Protein", + "name": "Sodium-dependent noradrenaline transporter" + }, + { + "id": "GO:0051620", + "label": "BiologicalProcess", + "name": "norepinephrine uptake" + }, + { + "id": "HP:0000716", + "label": "PhenotypicFeature", + "name": "Depressivity" + }, + { + "id": "HP:0100754", + "label": "PhenotypicFeature", + "name": "Mania" + }, + { + "id": "MESH:D001714", + "label": "Disease", + "name": "Bipolar Disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01224#mechanism-of-action", + "https://www.genecards.org/cgi-bin/carddisp.pl?gene=SLC6A2#drugs_compounds", + "https://en.wikipedia.org/wiki/Quetiapine#cite_note-pmid18059438-50", + "https://pubmed.ncbi.nlm.nih.gov/20307622/", + "https://pubmed.ncbi.nlm.nih.gov/20931407/" + ] + }, + { + "comment": "Octreotide has antiproliferative effects and it is used in treating neuroendocrine tumours including carcinoid tumours. Octreotide improves symptoms of carcinoid syndrome such as diarrhoea and flushing https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5983100/. Octreotide is also used in imaging method called octreoscan where indium-111 labelled octreotide is used in scintigraphy for detecting tumors expressing somatostatin receptors https://en.wikipedia.org/wiki/Carcinoid_syndrome#Imaging", + "directed": true, + "graph": { + "_id": "DB00104_MESH_D008303_1", + "disease": "Carcinoid syndrome", + "disease_mesh": "MONDO:0100347", + "drug": "Octreotide", + "drug_mesh": "PUBCHEM.COMPOUND:448601", + "drugbank": "DB:DB00104" + }, + "links": [ + { + "key": "positively regulates", + "source": "PUBCHEM.COMPOUND:448601", + "target": "GO:0038169" + }, + { + "key": "negatively regulates", + "source": "GO:0038169", + "target": "UniProt:P01241" + }, + { + "key": "positively regulates", + "source": "UniProt:P01241", + "target": "UniProt:P05019" + }, + { + "key": "positively correlated with", + "source": "UniProt:P05019", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MONDO:0100347" + } + ], + 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Mestranol is used as an estrogen component of many combined oral contraceptives. The combined oral contraceptives show efficacy in a treatment of menorrhagia, but not estrogen component itself.", + "directed": true, + "graph": { + "_id": "DB01357_MESH_D008595_1", + "disease": "Menorrhagia", + "disease_mesh": "HP:0000132", + "drug": "Mestranol", + "drug_mesh": "CHEBI:6784", + "drugbank": "DB:DB01357" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:6784", + "target": "HP:0000132" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008656", + "label": "Drug", + "name": "Mestranol" + }, + { + "id": "MESH:D008595", + "label": "Disease", + "name": "Menorrhagia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01357", + "https://pubmed.ncbi.nlm.nih.gov/26695687/" + ] + }, + { + "comment": "Mestranol is a biologically inactive prodrug of ethinylestradiol, which it is demethylated in the liver with a conversion efficiency of 70%. Mestranol is used as an estrogen component of many combined oral contraceptives. The combined oral contraceptives show efficacy in endometriosis symptoms management, but not estrogen component itself.", + "directed": true, + "graph": { + "_id": "DB01357_MESH_D004715_1", + "disease": "Endometriosis", + "disease_mesh": "MONDO:0005133", + "drug": "Mestranol", + "drug_mesh": "CHEBI:6784", + "drugbank": "DB:DB01357" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:6784", + "target": "MONDO:0005133" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008656", + "label": "Drug", + "name": "Mestranol" + }, + { + "id": "MESH:D004715", + "label": "Disease", + "name": "Endometriosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01357", + "https://pubmed.ncbi.nlm.nih.gov/31488888/" + ] + }, + { + "comment": "Calfactant adsorbs rapidly to the surface of the alveolar air-fluid interface and modifies surface tension to a minimum of less than 3 mN/m. It acts in a manner similar to natural lung surfactant, thus preventing or treating respiratory distress syndrome.", + "directed": true, + "graph": { + "_id": "DB06415_MESH_D012127_1", + "disease": "Respiratory distress syndrome in the newborn", + "disease_mesh": "MONDO:0100077", + "drug": "Calfactant", + "drug_mesh": "UNII:Q4K217VGA9", + "drugbank": "DB:DB06415" + }, + "links": [ + { + "key": "capable of", + "source": "UNII:Q4K217VGA9", + "target": "GO:0043129" + }, + { + "key": "negatively correlated with", + "source": "GO:0043129", + "target": "MONDO:0100077" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C117342", + "label": "Drug", + "name": "Calfactant" + }, + { + "id": "GO:0043129", + "label": "BiologicalProcess", + "name": "Surfactant homeostasis" + }, + { + "id": "MESH:D012127", + "label": "Disease", + "name": "Respiratory distress syndrome in the newborn" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06415" + ] + }, + { + "directed": true, + 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"MESH:D015106", + "label": "GeneFamily", + "name": "3',5'-Cyclic-GMP Phosphodiesterases" + }, + { + "id": "MESH:D015105", + "label": "GeneFamily", + "name": "3',5'-Cyclic-AMP Phosphodiesterases" + }, + { + "id": "UniProt:Q92769", + "label": "Protein", + "name": "Histone deacetylase 2" + }, + { + "id": "GO:0016575", + "label": "BiologicalProcess", + "name": "histone deacetylation" + }, + { + "id": "GO:0006198", + "label": "BiologicalProcess", + "name": "cAMP catabolic process" + }, + { + "id": "GO:0019933", + "label": "BiologicalProcess", + "name": "cAMP-mediated signaling" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "GO:0044557", + "label": "BiologicalProcess", + "name": "relaxation of smooth muscle" + }, + { + "id": "MESH:D016084", + "label": "BiologicalProcess", + "name": "Bronchoconstriction" + }, + { + "id": "CHEBI:17489", + "label": "ChemicalSubstance", + "name": "3',5'-cyclic AMP" + }, + { + "id": "MESH:D001986", + "label": "Disease", + "name": "Bronchospasm" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00277#mechanism-of-action", + "https://en.wikipedia.org/wiki/Theophylline#Pharmacodynamics" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00204_MESH_D001281_1", + "disease": "Atrial fibrillation", + "disease_mesh": "MONDO:0004981", + "drug": "dofetilide", + "drug_mesh": "CHEBI:4681", + "drugbank": "DB:DB00204" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:4681", + "target": "UniProt:Q12809" + }, + { + "key": "negatively regulates", + "source": "CHEBI:4681", + "target": "UniProt:O95069" + }, + { + "key": "negatively regulates", + "source": "CHEBI:4681", + "target": "UniProt:Q14500" + }, + { + "key": "participates in", + "source": "UniProt:Q12809", + "target": "reactome:R-HSA-5576890" + }, + { + "key": "regulates", + "source": "UniProt:O95069", + "target": "GO:0030322" + }, + { + "key": "positively regulates", + "source": "UniProt:Q14500", + "target": "GO:0061337" + }, + { + "key": "negatively correlated with", + "source": "reactome:R-HSA-5576890", + "target": "MESH:D012032" + }, + { + "key": "negatively correlated with", + "source": "GO:0030322", + "target": "MESH:D012032" + }, + { + "key": "negatively correlated with", + "source": "GO:0061337", + "target": "MESH:D012032" + }, + { + "key": "negatively correlated with", + "source": "MESH:D012032", + "target": "HP:0001692" + }, + { + "key": "manifestation of", + "source": "HP:0001692", + "target": "MONDO:0004981" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C063533", + "label": "Drug", + "name": "dofetilide" + }, + { + "id": "UniProt:Q12809", + "label": "Protein", + "name": "Potassium voltage-gated channel subfamily H member 2" + }, + { + "id": "UniProt:O95069", + "label": "Protein", + "name": "Potassium channel subfamily K member 2" + }, + { + "id": "UniProt:Q14500", + "label": "Protein", + "name": "ATP-sensitive inward rectifier potassium channel 12" + }, + { + "id": "GO:0030322", + "label": "BiologicalProcess", + "name": "stabilization of membrane potential" + }, + { + "id": "GO:0061337", + "label": "BiologicalProcess", + "name": "cardiac conduction" + }, + { + "id": "reactome:R-HSA-5576890", + "label": "Pathway", + "name": "Phase 3 - rapid repolarisation" + }, + { + "id": "MESH:D012032", + "label": "BiologicalProcess", + "name": "Refractory Period, Electrophysiological" + }, + { + "id": "HP:0001692", + "label": "PhenotypicFeature", + "name": "Atrial arrhythmia" + }, + { + "id": "MESH:D001281", + "label": "Disease", + "name": "Atrial fibrillation" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00204#mechanism-of-action", + "https://en.wikipedia.org/wiki/Dofetilide#Mechanism_of_action", + "https://www.cvpharmacology.com/antiarrhy/potassium-blockers", + "https://pubmed.ncbi.nlm.nih.gov/10907968/" + ] + }, + { + "comment": "The disease, specially the acute form, is mainly caused by infection (https://en.wikipedia.org/wiki/Enterocolitis#Cause), leading to inflammation. So in addition to treating the symptoms (such as spams and GI secretions), antibiotics, anti-virals etc may be needed for treatment (https://en.wikipedia.org/wiki/Enterocolitis#Treatment).", + "directed": true, + "graph": { + "_id": "DB00771_MESH_D004760_1", + "disease": "Enterocolitis", + "disease_mesh": "MONDO:0009172", + "drug": "clidinium", + "drug_mesh": "CHEBI:95170", + "drugbank": "DB:DB00771" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:95170", + "target": "UniProt:P11229" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0006939" + }, + { + "key": "positively correlated with", + "source": "GO:0006939", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0006939", + "target": "HP:0003394" + }, + { + "key": "correlated with", + "source": "GO:0001696", + "target": "MONDO:0009172" + }, + { + "key": "correlated with", + "source": "HP:0003394", + "target": "MONDO:0009172" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C054940", + "label": "Drug", + "name": "clidinium" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0006939", + "label": "BiologicalProcess", + "name": "smooth muscle contraction" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "Intestinal Secretions" + }, + { + "id": "HP:0003394", + "label": "PhenotypicFeature", + "name": "Muscle spasm" + }, + { + "id": "MESH:D004760", + "label": "Disease", + "name": "Enterocolitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00771#mechanism-of-action", + "https://en.wikipedia.org/wiki/Clidinium_bromide#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00771_MESH_D043183_1", + "disease": "Irritable bowel syndrome", + "disease_mesh": "MONDO:0005052", + "drug": "clidinium", + "drug_mesh": "CHEBI:95170", + "drugbank": "DB:DB00771" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:95170", + "target": "UniProt:P11229" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0006939" + }, + { + "key": "positively correlated with", + "source": "GO:0006939", + "target": "HP:0002487" + }, + { + "key": "increases abundance of", + "source": "HP:0002487", + "target": "HP:0032155" + }, + { + "key": "correlated with", + "source": "HP:0032155", + "target": "HP:0002579" + }, + { + "key": "manifestation of", + "source": "HP:0002579", + "target": "MONDO:0005052" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C054940", + "label": "Drug", + "name": "clidinium" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0006939", + "label": "BiologicalProcess", + "name": "smooth muscle contraction" + }, + { + "id": "HP:0032155", + "label": "PhenotypicFeature", + "name": "Abdominal cramps" + }, + { + "id": "MESH:D013035", + "label": "BiologicalProcess", + "name": "Spasm" + }, + { + "id": "HP:0002579", + "label": "PhenotypicFeature", + "name": "Gastrointestinal dysmotility" + }, + { + "id": "MESH:D043183", + "label": "Disease", + "name": "Irritable bowel syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00771#mechanism-of-action", + "https://en.wikipedia.org/wiki/Clidinium_bromide#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Irritable_bowel_syndrome#Medication" + ] + }, + { + "comment": "In Parkinson's disease, there is imbalance between levels of acetylcholine and dopamine, where increased levels of acetylcholine and degeneration of dopaminergic pathways are observed. Therefore, muscarinic antagonists block central cholinergic activity and balance out neurotransmitters in the brain (https://en.wikipedia.org/wiki/Muscarinic_antagonist#Effects). Anticholinergic drugs may also be prescribed to improve bladder dysfunction (https://pubmed.ncbi.nlm.nih.gov/20370804/).", + "directed": true, + "graph": { + "_id": "DB00942_MESH_D010300_1", + "disease": "Parkinson's disease", + "disease_mesh": "MONDO:0005180", + "drug": "cycrimine", + "drug_mesh": "CHEBI:59692", + "drugbank": "DB:DB00942" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:59692", + "target": "UniProt:P11229" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "increases activity of", + "source": "GO:0007271", + "target": "GO:0014055" + }, + { + "key": "positively correlated with", + "source": "GO:0014055", + "target": "MONDO:0005180" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C012262", + "label": "Drug", + "name": "cycrimine" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "synaptic transmission, cholinergic" + }, + { + "id": "GO:0014055", + "label": "BiologicalProcess", + "name": "acetylcholine secretion, neurotransmission" + }, + { + "id": "MESH:D010300", + "label": "Disease", + "name": "Parkinson's disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00942#mechanism-of-action", + "https://pubchem.ncbi.nlm.nih.gov/compound/2911#section=Pharmacology-and-Biochemistry" + ] + }, + { + "comment": "The antiseizure mechanism of action based on the voltage sodium channels is not a consensus (https://en.wikipedia.org/wiki/Eslicarbazepine_acetate#Mechanism_of_action). The drug could also bind to calcium channels (https://go.drugbank.com/drugs/DB09119#mechanism-of-action). Note that the protein target listed in DrugBank (https://go.drugbank.com/drugs/DB09119#BE0005793) does not seem to be involved in epilepsy, but rather in inflammation and pain.", + "directed": true, + "graph": { + "_id": "DB09119_MESH_D004828_1", + "disease": "Epilepsies, Partial", + "disease_mesh": "MONDO:0005384", + "drug": "eslicarbazepine acetate", + "drug_mesh": "CHEBI:87016", + "drugbank": "DB:DB09119" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:87016", + "target": "CHEBI:174358" + }, + { + "key": "decreases activity of", + "source": "CHEBI:174358", + "target": "InterPro:IPR001696" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0035725" + }, + { + "key": "regulates", + "source": "GO:0035725", + "target": "GO:0019228" + }, + { + "key": "contributes to", + "source": "GO:0019228", + "target": "MONDO:0018097" + }, + { + "key": "positively correlated with", + "source": "MONDO:0018097", + "target": "MONDO:0005384" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C416835", + "label": "Drug", + "name": "eslicarbazepine acetate" + }, + { + "id": "MESH:C571001", + "label": "Drug", + "name": "eslicarbazepine" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "GO:0035725", + "label": "BiologicalProcess", + "name": "sodium ion transmembrane transport" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "HP:0011097", + "label": "PhenotypicFeature", + "name": "Epileptic spasm" + }, + { + "id": "MESH:D004828", + "label": "Disease", + "name": "Epilepsies, Partial" + } + ], + "reference": [ + "https://pubchem.ncbi.nlm.nih.gov/compound/179344#section=Pharmacology-and-Biochemistry", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL87992/" + ] + }, + { + "comment": "This disease is also known as Disorder of lung as per DrugCentral. Note this disease name is a very generic term, that could encompass any diseases of the lungs, including neoplasms, infectious diseases (e.g. tuberculosis) and rare diseases (e.g. cystic fibrosis) for which theophylline may not have any therapeutic benefit at all. Therefore, this annotation is done for all lung diseases that could be indications for this drug to encompass diseases that are similar to asthma, bronchitis, COPD and alike.", + "directed": true, + "graph": { + "_id": "DB00277_MESH_D008171_1", + "disease": "Lung Diseases", + "disease_mesh": "MONDO:0005275", + "drug": "theophylline", + "drug_mesh": "CHEBI:28177", + "drugbank": "DB:DB00277" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:28177", + "target": "UniProt:Q92769" + }, + { + "key": "positively regulates", + "source": "UniProt:Q92769", + "target": "GO:0016575" + }, + { + "key": "negatively correlated with", + "source": "GO:0016575", + "target": "GO:0006954" + }, + { + "key": "decreases activity of", + "source": "CHEBI:28177", + "target": "InterPro:IPR023174" + }, + { + "key": "decreases activity of", + "source": "CHEBI:28177", + "target": "InterPro:IPR001634" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR023174", + "target": "GO:0006198" + }, + { + "key": "negatively regulates", + "source": "InterPro:IPR023174", + "target": "GO:0019933" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001634", + "target": "HP:4000007" + }, + { + "key": "positively correlated with", + "source": "HP:4000007", + "target": "MONDO:0005275" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001634", + "target": "GO:0006954" + }, + { + "key": "decreases abundance of", + "source": "GO:0006198", + "target": "CHEBI:17489" + }, + { + "key": "increases abundance of", + "source": "GO:0019933", + "target": "CHEBI:17489" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17489", + "target": "GO:0044557" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:17489", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MONDO:0005275" + }, + { + "key": "negatively correlated with", + "source": "GO:0044557", + "target": "MONDO:0005275" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:D000628", + "MESH:D031210" + ], + "id": "MESH:D013806", + "label": "Drug", + "name": "theophylline" + }, + { + "id": "InterPro:IPR001634", + "label": "GeneFamily", + "name": "Adenosine receptor" + }, + { + "id": "InterPro:IPR023174", + "label": "GeneFamily", + "name": "3'5'-cyclic nucleotide phosphodiesterase, conserved site" + }, + { + "id": "UniProt:Q92769", + "label": "Protein", + "name": "Histone deacetylase 2" + }, + { + "id": "GO:0016575", + "label": "BiologicalProcess", + "name": "histone deacetylation" + }, + { + "id": "GO:0006198", + "label": "BiologicalProcess", + "name": "cAMP catabolic process" + }, + { + "id": "GO:0019933", + "label": "BiologicalProcess", + "name": "cAMP-mediated signaling" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "GO:0044557", + "label": "BiologicalProcess", + "name": "relaxation of smooth muscle" + }, + { + "id": "HP:4000007", + "label": "PhenotypicFeature", + "name": "Bronchoconstriction" + }, + { + "id": "CHEBI:17489", + "label": "ChemicalSubstance", + "name": "3',5'-cyclic AMP" + }, + { + "id": "MESH:D008171", + "label": "Disease", + "name": "Lung Diseases" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00277#mechanism-of-action", + "https://en.wikipedia.org/wiki/Theophylline#Pharmacodynamics", + "https://pubmed.ncbi.nlm.nih.gov/18660825/", + "https://pubmed.ncbi.nlm.nih.gov/12212985/", + "https://pubmed.ncbi.nlm.nih.gov/15980878/", + "https://pubmed.ncbi.nlm.nih.gov/19762093/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00046_MESH_D003922_1", + "disease": "Diabetes mellitus type 1", + "disease_mesh": "MONDO:0005147", + "drug": "insulin lispro", + "drug_mesh": "PUBCHEM.COMPOUND:16132438", + "drugbank": "DB:DB00046" + }, + "links": [ + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:16132438", + "target": "UniProt:P06213" + }, + { + "key": "positively regulates", + "source": "UniProt:P06213", + "target": "GO:0004714" + }, + { + "key": "positively regulates", + "source": "GO:0004714", + "target": "MESH:D055504" + }, + { + "key": "positively regulates", + "source": "MESH:D055504", + "target": "GO:0046323" + }, + { + "key": "negatively correlated with", + "source": "GO:0046323", + "target": "MONDO:0005147" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D061268", + "label": "Drug", + "name": "insulin lispro" + }, + { + "id": "UniProt:P06213", + "label": "Protein", + "name": "Insulin receptor" + }, + { + "id": "GO:0004714", + "label": "MolecularActivity", + "name": "transmembrane receptor protein tyrosine kinase activity" + }, + { + "id": "MESH:D055504", + "label": "GeneFamily", + "name": "Insulin Receptor Substrate Proteins" + }, + { + "id": "GO:0046323", + "label": "BiologicalProcess", + "name": "glucose import" + }, + { + "id": "MESH:D003922", + "label": "Disease", + "name": "Diabetes mellitus type 1" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00046#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201538/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00046_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MONDO:0005148", + "drug": "insulin lispro", + "drug_mesh": "PUBCHEM.COMPOUND:16132438", + "drugbank": "DB:DB00046" + }, + "links": [ + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:16132438", + "target": "UniProt:P06213" + }, + { + "key": "positively regulates", + "source": "UniProt:P06213", + "target": "GO:0004714" + }, + { + "key": "positively regulates", + "source": "GO:0004714", + "target": "MESH:D055504" + }, + { + "key": "positively regulates", + "source": "MESH:D055504", + "target": "GO:0046323" + }, + { + "key": "negatively correlated with", + "source": "GO:0046323", + "target": "MONDO:0005148" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D061268", + "label": "Drug", + "name": "insulin lispro" + }, + { + "id": "UniProt:P06213", + "label": "Protein", + "name": "Insulin receptor" + }, + { + "id": "GO:0004714", + "label": "MolecularActivity", + "name": "transmembrane receptor protein tyrosine kinase activity" + }, + { + "id": "MESH:D055504", + "label": "GeneFamily", + "name": "Insulin Receptor Substrate Proteins" + }, + { + "id": "GO:0046323", + "label": "BiologicalProcess", + "name": "glucose import" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00046#mechanism-of-action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201538/" + ] + }, + { + "comment": "The disease is denoted Carcinoma of breast in the original file as per DrugCentral. The drug intercaltes with DNA and prevents DNA replication and downstream processes, some of them involving UniProt:P11388, which leads to cell/tumour death.", + "directed": true, + "graph": { + "_id": "DB00445_MESH_D001943_1", + "disease": "Breast Neoplasms", + "disease_mesh": "MONDO:0021100", + "drug": "epirubicin", + "drug_mesh": "CHEBI:47898", + "drugbank": "DB:DB00445" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:47898", + "target": "GO:0140014" + }, + { + "key": "positively correlated with", + "source": "GO:0140014", + "target": "HP:0031377" + }, + { + "key": "positively correlated with", + "source": "HP:0031377", + "target": "MONDO:0021100" + }, + { + "key": "decreases abundance of", + "source": "CHEBI:47898", + "target": "GO:0032993" + }, + { + "key": "has participant", + "source": "GO:0032993", + "target": "UniProt:P11388" + }, + { + "key": "positively correlated with", + "source": "UniProt:P11388", + "target": "GO:0006260" + }, + { + "key": "increases abundance of", + "source": "CHEBI:47898", + "target": "CHEBI:26519" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26519", + "target": "GO:0090734" + }, + { + "key": "positively correlated with", + "source": "GO:0090734", + "target": "GO:0006915" + }, + { + "key": "negatively correlated with", + "source": "GO:0006915", + "target": "MONDO:0021100" + }, + { + "key": "positively correlated with", + "source": "GO:0006260", + "target": "HP:0031377" + }, + { + "key": "positively correlated with", + "source": "GO:0006260", + "target": "GO:0140014" + }, + { + "key": "positively correlated with", + "source": "GO:0140014", + "target": "HP:0031377" + }, + { + "key": "manifestation of", + "source": "HP:0031377", + "target": "MONDO:0021100" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015251", + "label": "Drug", + "name": "epirubicin" + }, + { + "id": "UniProt:P11388", + "label": "Protein", + "name": "DNA topoisomerase 2-alpha" + }, + { + "id": "GO:0032993", + "label": "CellularComponent", + "name": "protein-DNA complex" + }, + { + "id": "MESH:D005609", + "label": "ChemicalSubstance", + "name": "Free Radicals" + }, + { + "id": "GO:0090734", + "label": "CellularComponent", + "name": "site of DNA damage" + }, + { + "id": "GO:0006260", + "label": "BiologicalProcess", + "name": "DNA replication" + }, + { + "id": "HP:0031377", + "label": "PhenotypicFeature", + "name": "Abnormal cell proliferation" + }, + { + "id": "GO:0006915", + "label": "BiologicalProcess", + "name": "apoptotic process" + }, + { + "id": "GO:0140014", + "label": "BiologicalProcess", + "name": "mitotic nuclear division" + }, + { + "id": "MESH:D001943", + "label": "Disease", + "name": "Breast Neoplasm" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00445#mechanism-of-action", + "https://en.wikipedia.org/wiki/Epirubicin" + ] + }, + { + "comment": "The disease is also known as Deep venous thrombosis as per DrugCentral. Note that among the original MESH IDs for this drug one of them seems to have been deprecated (MESH:C438268) whereas the other (MESH:C049714) is for a compound where no evidence has been found to be related to fondaparinux.", + "directed": true, + "graph": { + "_id": "DB00569_MESH_D020246_1", + "disease": "Venous Thrombosis", + "disease_mesh": "MONDO:0008559", + "drug": "fondaparinux", + "drug_mesh": "CHEBI:61033", + "drugbank": "DB:DB00569" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:61033", + "target": "UniProt:P01008" + }, + { + "key": "decreases activity of", + "source": "UniProt:P01008", + "target": "UniProt:P00742" + }, + { + "key": "positively correlated with", + "source": "UniProt:P00742", + "target": "GO:0007596" + }, + { + "key": "located in", + "source": "GO:0007596", + "target": "UBERON:0035552" + }, + { + "key": "location of", + "source": "UBERON:0035552", + "target": "MONDO:0008559" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000077425", + "label": "Drug", + "name": "fondaparinux" + }, + { + "id": "UniProt:P01008", + "label": "Protein", + "name": "Antithrombin-III" + }, + { + "id": "UniProt:P00742", + "label": "Protein", + "name": "Coagulation factor X" + }, + { + "id": "GO:0007596", + "label": "BiologicalProcess", + "name": "blood coagulation" + }, + { + "id": "UBERON:0035552", + "label": "GrossAnatomicalStructure", + "name": "deep vein" + }, + { + "id": "MESH:D020246", + "label": "Disease", + "name": "Venous Thrombosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00569#BE0000280", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201202/", + "https://en.wikipedia.org/wiki/Fondaparinux#Mechanism_of_action" + ] + }, + { + "comment": "The disease is also known as Pulmonary thromboembolism as per DrugCentral. Note that among the original MESH IDs for this drug one of them seems to have been deprecated (MESH:C438268) whereas the other (MESH:C049714) is for a compound where no evidence has been found to be related to fondaparinux.", + "directed": true, + "graph": { + "_id": "DB00569_MESH_D011655_1", + "disease": "Pulmonary Embolism", + "disease_mesh": "MONDO:0005279", + "drug": "fondaparinux", + "drug_mesh": "CHEBI:61033", + "drugbank": "DB:DB00569" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:61033", + "target": "UniProt:P01008" + }, + { + "key": "decreases activity of", + "source": "UniProt:P01008", + "target": "UniProt:P00742" + }, + { + "key": "positively correlated with", + "source": "UniProt:P00742", + "target": "GO:0007596" + }, + { + "key": "positively correlated with", + "source": "GO:0007596", + "target": "HP:0001907" + }, + { + "key": "positively correlated with", + "source": "HP:0001907", + "target": "MONDO:0005279" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000077425", + "label": "Drug", + "name": "fondaparinux" + }, + { + "id": "UniProt:P01008", + "label": "Protein", + "name": "Antithrombin-III" + }, + { + "id": "UniProt:P00742", + "label": "Protein", + "name": "Coagulation factor X" + }, + { + "id": "GO:0007596", + "label": "BiologicalProcess", + "name": "blood coagulation" + }, + { + "id": "HP:0001907", + "label": "PhenotypicFeature", + "name": "Thromboembolism" + }, + { + "id": "MESH:D011655", + "label": "Disease", + "name": "Pulmonary Embolism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00569#BE0000280", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201202/", + "https://en.wikipedia.org/wiki/Fondaparinux#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB11093_MESH_D015663_1", + "disease": "Postmenopausal osteoporosis", + "disease_mesh": "MONDO:0008159", + "drug": "strontium ranelate", + "drug_mesh": "PUBCHEM.COMPOUND:6918182", + "drugbank": "DB:DB11093" + }, + "links": [ + { + "key": "positively regulates", + "source": "PUBCHEM.COMPOUND:6918182", + "target": "UMLS:C0029418" + }, + { + "key": "increases abundance of", + "source": "UMLS:C0029418", + "target": "CHEBI:196519" + }, + { + "key": "increases expression of", + "source": "UMLS:C0029418", + "target": "CHEBI:196519" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:196519", + "target": "GO:0045453" + }, + { + "key": "positively correlated with", + "source": "GO:0045453", + "target": "MONDO:0008159" + }, + { + "key": "positively regulates", + "source": "PUBCHEM.COMPOUND:6918182", + "target": "UniProt:P41180" + }, + { + "key": "positively correlated with", + "source": "UniProt:P41180", + "target": "GO:0006915" + }, + { + "key": "decreases abundance of", + "source": "GO:0006915", + "target": "UMLS:C0029431" + }, + { + "key": "positively correlated with", + "source": "UMLS:C0029431", + "target": "GO:0045453" + }, + { + "key": "positively regulates", + "source": "UniProt:P41180", + "target": "GO:0070509" + }, + { + "key": "positively correlated with", + "source": "GO:0070509", + "target": "GO:0001503" + }, + { + "key": "negatively correlated with", + "source": "GO:0001503", + "target": "MONDO:0008159" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C081587", + "label": "Drug", + "name": "strontium ranelate" + }, + { + "id": "UniProt:P41180", + "label": "Protein", + "name": "Extracellular calcium-sensing receptor" + }, + { + "id": "MESH:D053244", + "label": "Protein", + "name": "Osteoprotegerin" + }, + { + "id": "MESH:D010006", + "label": "Cell", + "name": "Osteoblasts" + }, + { + "id": "MESH:D010010", + "label": "Cell", + "name": "Osteoclasts" + }, + { + "id": "GO:0006915", + "label": "BiologicalProcess", + "name": "apoptotic process" + }, + { + "id": "GO:0070509", + "label": "BiologicalProcess", + "name": "calcium ion import" + }, + { + "id": "GO:0001503", + "label": "BiologicalProcess", + "name": "ossification" + }, + 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+ "nodes": [ + { + "id": "MESH:D017963", + "label": "Drug", + "name": "azithromycin" + }, + { + "id": "MESH:D012338", + "label": "ChemicalSubstance", + "name": "RNA, Ribosomal, 23S" + }, + { + "id": "UniProt:P0A7J6", + "label": "Protein", + "name": "50S ribosomal protein L10" + }, + { + "id": "GO:0045727", + "label": "BiologicalProcess", + "name": "positive regulation of translation" + }, + { + "id": "GO:0051301", + "label": "BiologicalProcess", + "name": "cell division" + }, + { + "id": "taxonomy:1314", + "label": "OrganismTaxon", + "name": "Streptococcus pyogenes" + }, + { + "id": "MESH:D013290", + "label": "Disease", + "name": "Streptococcus pyogenes infection" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00207#BE0004800" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00207_MESH_D002602_1", + "disease": "Chancroid", + "disease_mesh": "MONDO:0001797", + "drug": "azithromycin", + "drug_mesh": "CHEBI:2955", + "drugbank": "DB:DB00207" + }, + "links": [ + { + 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From the literature it was reported as same as Omeprazole.", + "directed": true, + "graph": { + "_id": "DB11964_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MONDO:0004247", + "drug": "ilaprazole", + "drug_mesh": "CHEBI:135544", + "drugbank": "DB:DB11964" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:135544", + "target": "UniProt:P20648" + }, + { + "key": "positively correlated with", + "source": "UniProt:P20648", + "target": "GO:0008900" + }, + { + "key": "located in", + "source": "GO:0008900", + "target": "UBERON:0000325" + }, + { + "key": "positively correlated with", + "source": "UBERON:0000325", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MONDO:0007186" + }, + { + "key": "manifestation of", + "source": "MONDO:0007186", + "target": "MONDO:0004247" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C119615", + "label": "Drug", + "name": "ilaprazole" + }, + { + "id": "UniProt:P20648", + "label": "Protein", + "name": "Potassium-transporting ATPase alpha chain 1" + }, + { + "id": "GO:0008900", + "label": "MolecularActivity", + "name": "P-type potassium:proton transporter activity" + }, + { + "id": "UBERON:0000325", + "label": "GrossAnatomicalStructure", + "name": "gastric gland" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "MESH:D006356", + "label": "PhenotypicFeature", + "name": "Heartburn" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB11964", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4009550/" + ] + }, + { + "comments": "ilaprazole mechanism of action was not provided in the drugbank DB. From the literature it was reported as same as Omeprazole.", + "directed": true, + "graph": { + "_id": "DB11964_MESH_D005764_1", + "disease": "Gastroesophageal reflux disease", + "disease_mesh": "MONDO:0007186", + "drug": "ilaprazole", + "drug_mesh": "CHEBI:135544", + "drugbank": "DB:DB11964" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:135544", + "target": "UniProt:P20648" + }, + { + "key": "positively correlated with", + "source": "UniProt:P20648", + "target": "GO:0008900" + }, + { + "key": "located in", + "source": "GO:0008900", + "target": "UBERON:0000325" + }, + { + "key": "positively correlated with", + "source": "UBERON:0000325", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MONDO:0007186" + }, + { + "key": "manifestation of", + "source": "MONDO:0007186", + "target": "MONDO:0007186" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C119615", + "label": "Drug", + "name": "ilaprazole" + }, + { + "id": "UniProt:P20648", + "label": "Protein", + "name": "Potassium-transporting ATPase alpha chain 1" + }, + { + "id": "GO:0008900", + "label": "MolecularActivity", + "name": "P-type potassium:proton transporter activity" + }, + { + "id": "UBERON:0000325", + "label": "GrossAnatomicalStructure", + "name": "gastric gland" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "MESH:D006356", + "label": "PhenotypicFeature", + "name": "Heartburn" + }, + { + "id": "MESH:D005764", + "label": "Disease", + "name": "Gastroesophageal reflux disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB11964", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4009550/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB12267_MESH_D002289_1", + "disease": "Non-small cell lung cancer", + "disease_mesh": "MONDO:0005233", + "drug": "brigatinib", + "drug_mesh": "PUBCHEM.COMPOUND:68165256", + "drugbank": "DB:DB12267" + }, + "links": [ + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:68165256", + "target": "UniProt:Q9UM73" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9UM73", + "target": "GO:0008283" + }, + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:68165256", + "target": "UniProt:P00533" + }, + { + "key": "positively regulates", + "source": "UniProt:P00533", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "CL:0001063" + }, + { + "key": "positively correlated with", + "source": "CL:0001063", + "target": "MONDO:0005233" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C000598580", + "label": "Drug", + "name": "brigatinib" + }, + { + "id": "UniProt:Q9UM73", + "label": "Protein", + "name": "anaplastic lymphoma kinase (ALK)" + }, + { + "id": "UniProt:P00533", + "label": "Protein", + "name": "Epidermal growth factor receptor" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "proliferation of cells" + }, + { + "id": "CL:0001063", + "label": "Cell", + "name": "tumor cell" + }, + { + "id": "MESH:D002289", + "label": "Disease", + "name": "Non-small cell lung cancer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB12267", + "https://www.sciencedirect.com/science/article/pii/S1319016418300902" + ] + }, + { + "comments": "evogliptin mechanism of action was not provided in the drugbank DB. From the literature it was reported as a novel DPP-4 inhibitor, approved in South Korea.", + "directed": true, + "graph": { + "_id": "DB12625_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MONDO:0005148", + "drug": "evogliptin", + "drug_mesh": "PUBCHEM.COMPOUND:25022354", + "drugbank": "DB:DB12625" + }, + "links": [ + { + "key": "negatively regulates", + "source": "PUBCHEM.COMPOUND:25022354", + "target": "UniProt:P27487" + }, + { + "key": "negatively regulates", + "source": "UniProt:P27487", + "target": "CHEBI:80270" + }, + { + "key": "positively regulates", + "source": "CHEBI:80270", + "target": "GO:0030073" + }, + { + "key": "negatively regulates", + "source": "CHEBI:80270", + "target": "GO:0070091" + }, + { + "key": "negatively regulates", + "source": "GO:0030073", + "target": "MONDO:0002909" + }, + { + "key": "positively correlated with", + "source": "GO:0070091", + "target": "MONDO:0002909" + }, + { + "key": "positively correlated with", + "source": 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"label": "ChemicalSubstance", + "name": "Triglycerides" + }, + { + "id": "MESH:D006949", + "label": "Disease", + "name": "Hyperlipidemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00451", + "https://en.wikipedia.org/wiki/LDL_receptor#Function", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6129606/", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3109527/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00451_MESH_D050031_1", + "disease": "Hashimoto thyroiditis", + "disease_mesh": "MONDO:0007699", + "drug": "Levothyroxine", + "drug_mesh": "CHEBI:18332", + "drugbank": "DB:DB00451" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:18332", + "target": "CHEBI:18258" + }, + { + "key": "increases activity of", + "source": "CHEBI:18258", + "target": "UniProt:P10827" + }, + { + "key": "increases activity of", + "source": "CHEBI:18258", + "target": "UniProt:P10828" + }, + { + "key": "positively regulates", + "source": "UniProt:P10827", + 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Low-dose naltrexone (LDN) describes the off-label use of naltrexone at low doses for diseases not related to chemical dependency or intoxication. The annotation is for Low Dose Naltrexone (LDN).", + "directed": true, + "graph": { + "_id": "DB00704_MESH_D059350_1", + "disease": "Chronic pain", + "disease_mesh": "HP:0012532", + "drug": "Low Dose Naltrexone", + "drug_mesh": "CHEBI:7459", + "drugbank": "DB:DB00704" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:7459", + "target": "UniProt:O00206" + }, + { + "key": "increases activity of", + "source": "UniProt:O00206", + "target": "UniProt:P01375" + }, + { + "key": "positively regulates", + "source": "UniProt:P01375", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "HP:0012532" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009270", + "label": "Drug", + "name": "Low Dose Naltrexone" + }, + { + "id": "UniProt:O00206", + "label": "Protein", + "name": "Toll-like receptor 4" + }, + { + "id": "UniProt:P01375", + "label": "Protein", + "name": "Tumor necrosis factor" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "Inflammatory response" + }, + { + "id": "MESH:D059350", + "label": "Disease", + "name": "Chronic pain" + } + ], + "reference": [ + "https://pubmed.ncbi.nlm.nih.gov/32845365/", + "https://pubmed.ncbi.nlm.nih.gov/30248938/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00704_MESH_D000437_1", + "disease": "Alcoholism", + "disease_mesh": "MONDO:0002046", + "drug": "Naltrexone", + "drug_mesh": "CHEBI:7459", + "drugbank": "DB:DB00704" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:7459", + "target": "UniProt:P41145" + }, + { + "key": "molecularly interacts with", + "source": "UniProt:P41145", + "target": "UniProt:P01213" + }, + { + "key": "positively correlated with", + "source": "UniProt:P01213", + "target": "HP:0030858" + }, + { + "key": "decreases activity of", + "source": "CHEBI:7459", + "target": "UniProt:P41143" + }, + { + "key": "positively correlated with", + "source": "UniProt:P41143", + "target": "GO:0061527" + }, + { + "key": "decreases activity of", + "source": "CHEBI:7459", + "target": "UniProt:P35372" + }, + { + "key": "positively correlated with", + "source": "UniProt:P35372", + "target": "GO:0061527" + }, + { + "key": "positively correlated with", + "source": "GO:0061527", + "target": "HP:0030858" + }, + { + "key": "occurs in", + "source": "HP:0030858", + "target": "MONDO:0002046" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009270", + "label": "Drug", + "name": "Naltrexone" + }, + { + "id": "UniProt:P41145", + "label": "Protein", + "name": "Kappa-type opioid receptor" + }, + { + "id": "UniProt:P01213", + "label": "Protein", + "name": "Proenkephalin-B" + }, + { + "id": "HP:0030858", + "label": "PhenotypicFeature", + "name": "Addictive behavior" + }, + { + "id": "UniProt:P41143", + "label": "Protein", + "name": "Delta-type opioid receptor" + }, + { + "id": "UniProt:P35372", + "label": "Protein", + "name": "Mu-type opioid receptor" + }, + { + "id": "GO:0061527", + "label": "BiologicalProcess", + "name": "Dopamine secretion, neurotransmission" + }, + { + "id": "MESH:D000437", + "label": "Disease", + "name": "Alcoholism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00704", + "https://en.wikipedia.org/wiki/Naltrexone#Pharmacology", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2565602/" + ] + }, + { + "comment": "Naltrexone is associated with minimal weight loss as monotherapy, but has potential utility in the treatment of obesity when combined with Pro-opiomelanocortin activator - bupropion.", + "directed": true, + "graph": { + "_id": "DB00704_MESH_D009765_1", + "disease": "Obesity", + "disease_mesh": "MONDO:0011122", + "drug": "Naltrexone", + "drug_mesh": "CHEBI:7459", + "drugbank": "DB:DB00704" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:7459", + "target": "MONDO:0011122" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009270", + "label": "Drug", + "name": "Naltrexone" + }, + { + "id": "MESH:D009765", + "label": "Disease", + "name": "Obesity" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00704", + "https://pubmed.ncbi.nlm.nih.gov/19537999/" + ] + }, + { + "comment": "This medication is reserved for tumors that express PD-L1 or have high mutation burden.", + "directed": true, + "graph": { + "_id": "DB11595_MESH_D002295_1", + "disease": "Transitional cell carcinoma", + "disease_mesh": "MONDO:0006474", + "drug": "atezolizumab", + "drug_mesh": "UNII:52CMI0WC3Y", + "drugbank": "DB:DB11595" + }, + "links": [ + { + "key": "decreases activity of", + "source": "UNII:52CMI0WC3Y", + "target": "UniProt:Q9NZQ7" + }, + { + "key": "negatively regulates", + "source": "UniProt:Q9NZQ7", + "target": "GO:0042098" + }, + { + "key": "negatively regulates", + "source": "UniProt:Q9NZQ7", + "target": "GO:0042110" + }, + { + "key": "positively correlated with", + "source": "GO:0042098", + "target": "GO:0002424" + }, + { + "key": "positively correlated with", + "source": "GO:0042110", + "target": "GO:0002424" + }, + { + "key": "negatively correlated with", + "source": "GO:0002424", + "target": "MONDO:0006474" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C000594389", + "label": "Drug", + "name": "Atezolizumab" + }, + { + "id": "UniProt:Q9NZQ7", + "label": "Protein", + "name": "Programmed cell death 1 ligand 1" + }, + { + "id": "GO:0042098", + "label": "BiologicalProcess", + "name": "T cell proliferation" + }, + { + "id": "GO:0042110", + "label": "BiologicalProcess", + "name": "T cell activation" + }, + { + "id": "GO:0002424", + "label": "BiologicalProcess", + "name": "T cell mediated immune response to tumor cell" + }, + { + "id": "MESH:D002295", + "label": "Disease", + "name": "Transitional cell carcinoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB11595", + "https://en.wikipedia.org/wiki/Atezolizumab#Pharmacology", + "https://en.wikipedia.org/wiki/PD-1_and_PD-L1_inhibitors" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB12478_MESH_D020734_1", + "disease": "Parkinsonism", + "disease_mesh": "MONDO:0021095", + "drug": "Piribedil", + "drug_mesh": "CHEBI:92833", + "drugbank": "DB:DB12478" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:92833", + "target": "UniProt:P14416" + }, + { + "key": "increases activity of", + "source": "CHEBI:92833", + "target": "UniProt:P35462" + }, + { + "key": "positively correlated with", + "source": "UniProt:P14416", + "target": "CHEBI:18243" + }, + { + "key": "positively correlated with", + "source": "UniProt:P35462", + "target": "CHEBI:18243" + }, + { + "key": "positively correlated with", + "source": "CHEBI:18243", + "target": "GO:0061527" + }, + { + "key": "disrupted by", + "source": "GO:0061527", + "target": "MONDO:0021095" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010891", + "label": "Drug", + "name": "Piribedil" + }, + { + "id": "UniProt:P14416", + "label": "Protein", + "name": "D(2) dopamine receptor" + }, + { + "id": "UniProt:P35462", + "label": "Protein", + "name": "D(3) dopamine receptor" + }, + { + "id": "MESH:D004298", + "label": "ChemicalSubstance", + "name": "Dopamine" + }, + { + "id": "GO:0061527", + "label": "BiologicalProcess", + "name": "Dopamine secretion, neurotransmission" + }, + { + "id": "MESH:D020734", + "label": "Disease", + "name": "Parkinsonism" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Piribedil", + "https://en.wikipedia.org/wiki/Parkinsonism" + ] + }, + { + "comment": "Levomefolic acid can be found in contraceptive pills as a source of folic acid to help to prevent spinal cord birth defects in an unborn baby. There has not been any evidence to support that levomefolic acid on its own is an indication for acne vulgaris. When combined with hormones such as progestin and estrogen (birth pill) it can be used to treat moderate acne as well as premenstrual dysphoric disorder (https://www.webmd.com/drugs/2/drug-154717/beyaz-oral/details), but not on its own.", + "directed": true, + "graph": { + "_id": "DB11256_MESH_D000152_1", + "disease": "Acne vulgaris", + "disease_mesh": "MONDO:0011438", + "drug": "levomefolic acid", + "drug_mesh": "PUBCHEM.COMPOUND:135564391", + "drugbank": "DB:DB11256" + }, + "links": [ + { + "key": "treats", + "source": "PUBCHEM.COMPOUND:135564391", + "target": "MONDO:0011438" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C569381", + "label": "Drug", + "name": "levomefolic acid" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://www.accessdata.fda.gov/drugsatfda_docs/nda/2010/022532Orig1s000CrossR.pdf" + ] + }, + { + "comment": "Levomefolic acid can be found in contraceptive pills as a source of folic acid to help to prevent spinal cord birth defects in an unborn baby. There has not been any evidence to support that levomefolic acid on its own is an indication for acne vulgaris. When combined with hormones such as progestin and estrogen (birth pill) it can be used to treat moderate acne as well as premenstrual dysphoric disorder (https://www.webmd.com/drugs/2/drug-154717/beyaz-oral/details), but not on its own.", + "directed": true, + "graph": { + "_id": "DB11256_MESH_D065446_1", + "disease": "Premenstrual dysphoric disorder", + "disease_mesh": "UMLS:C0520676", + "drug": "levomefolic acid", + "drug_mesh": "PUBCHEM.COMPOUND:135564391", + "drugbank": "DB:DB11256" + }, + "links": [ + { + "key": "treats", + "source": "PUBCHEM.COMPOUND:135564391", + "target": "UMLS:C0520676" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C569381", + "label": "Drug", + "name": "levomefolic acid" + }, + { + "id": "MESH:D065446", + "label": "Disease", + "name": "Premenstrual dysphoric disorder" + } + ], + "reference": [ + "https://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=58cd12d3-39b1-4375-b7e0-09ba2378a52b" + ] + }, + { + "comment": "The drug stimulates the expression of several genes (e.g. HSP, SOD, etc) but it's not clear if the drug binds to these or other targets to modulate the known actions namely oxygen radical scavenging, anti-oxidation, anti-inflammation, and acceleration of gastrointestinal wound healing.", + "directed": true, + "graph": { + "_id": "DB09221_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MONDO:0004247", + "drug": "polaprezinc", + "drug_mesh": "MESH:C061957", + "drugbank": "DB:DB09221" + }, + "links": [ + { + "key": "decreases abundance of", + "source": "MESH:C061957", + "target": "CHEBI:26523" + }, + { + "key": "positively correlated with", + "source": "MESH:C061957", + "target": "GO:0070254" + }, + { + "key": "negatively correlated with", + "source": "MESH:C061957", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MONDO:0004247" + }, + { + "key": "negatively correlated with", + "source": "GO:0070254", + "target": "MONDO:0004247" + }, + { + "key": "positively correlated with", + "source": "MESH:C061957", + "target": "GO:0042060" + }, + { + "key": "negatively correlated with", + "source": "MESH:C061957", + "target": "taxonomy:210" + }, + { + "key": "causes", + "source": "taxonomy:210", + "target": "MONDO:0004247" + }, + { + "key": "negatively correlated with", + "source": "GO:0042060", + "target": "MONDO:0004247" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26523", + "target": "MONDO:0004247" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C061957", + "label": "Drug", + "name": "polaprezinc" + }, + { + "id": "CHEBI:26523", + "label": "ChemicalSubstance", + "name": "reactive oxygen species" + }, + { + "id": "taxonomy:210", + "label": "OrganismTaxon", + "name": "Helicobacter pylori" + }, + { + "id": "GO:0042060", + "label": "BiologicalProcess", + "name": "Wound Healing" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "GO:0070254", + "label": "BiologicalProcess", + "name": "mucus secretion" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Zinc_L-carnosine#Mechanisms_of_action" + ] + }, + { + "comment": "Dexibuprofen is an active enantiomer of ibuprofen.", + "directed": true, + "graph": { + "_id": "DB09213_MESH_D001172_1", + "disease": "Rheumatoid arthritis", + "disease_mesh": "MONDO:0008383", + "drug": "dexibuprofen", + "drug_mesh": "CHEBI:43415", + "drugbank": "DB:DB09213" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:43415", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "CHEBI:43415", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "CHEBI:26333" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0002829" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MONDO:0008383" + }, + { + "key": "positively correlated with", + "source": "HP:0002829", + "target": "MONDO:0008383" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C539402", + "label": "Drug", + "name": "dexibuprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0002829", + "label": "PhenotypicFeature", + "name": "Arthralgia" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "MESH:D001172", + "label": "Disease", + "name": "Rheumatoid arthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09213#BE0000262", + "https://go.drugbank.com/drugs/DB09213#BE0000017", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL175/", + "https://en.wikipedia.org/wiki/Ibuprofen#Pharmacology" + ] + }, + { + "comment": "The disease is also known as Juvenile rheumatoid arthritis as per DrugCentral. Dexibuprofen is an active enantiomer of ibuprofen.", + "directed": true, + "graph": { + "_id": "DB09213_MESH_D001171_1", + "disease": "Arthritis, Juvenile", + "disease_mesh": "MONDO:0011429", + "drug": "dexibuprofen", + "drug_mesh": "CHEBI:43415", + "drugbank": "DB:DB09213" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:43415", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "CHEBI:43415", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "CHEBI:26333" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0002829" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MONDO:0011429" + }, + { + "key": "positively correlated with", + "source": "HP:0002829", + "target": "MONDO:0011429" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C539402", + "label": "Drug", + "name": "dexibuprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0002829", + "label": "PhenotypicFeature", + "name": "Arthralgia" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "MESH:D001171", + "label": "Disease", + "name": "Arthritis, Juvenile" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09213#BE0000262", + "https://go.drugbank.com/drugs/DB09213#BE0000017", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL175/", + "https://en.wikipedia.org/wiki/Ibuprofen#Pharmacology" + ] + }, + { + "comment": "Dexibuprofen is an active enantiomer of ibuprofen.", + "directed": true, + "graph": { + "_id": "DB09213_MESH_D010003_1", + "disease": "Osteoarthritis", + "disease_mesh": "MONDO:0005178", + "drug": "dexibuprofen", + "drug_mesh": "CHEBI:43415", + "drugbank": "DB:DB09213" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:43415", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "CHEBI:43415", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "CHEBI:26333" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0002829" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + "target": "MONDO:0005178" + }, + { + "key": "positively correlated with", + "source": "HP:0002829", + "target": "MONDO:0005178" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C539402", + "label": "Drug", + "name": "dexibuprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0002829", + "label": "PhenotypicFeature", + "name": "Arthralgia" + }, + { + "id": "HP:0001386", + "label": "PhenotypicFeature", + "name": "Joint swelling" + }, + { + "id": "MESH:D010003", + "label": "Disease", + "name": "Osteoarthritis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09213#BE0000262", + "https://go.drugbank.com/drugs/DB09213#BE0000017", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL175/", + "https://en.wikipedia.org/wiki/Ibuprofen#Pharmacology" + ] + }, + { + "comment": "Dexibuprofen is an active enantiomer of ibuprofen.", + "directed": true, + "graph": { + "_id": "DB09213_MESH_D005334_1", + "disease": "Fever", + "disease_mesh": "HP:0001945", + "drug": "dexibuprofen", + "drug_mesh": "CHEBI:43415", + "drugbank": "DB:DB09213" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:43415", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "CHEBI:43415", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "CHEBI:26333" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0001945" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C539402", + "label": "Drug", + "name": "dexibuprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "MESH:D005334", + "label": "Disease", + "name": "Fever" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09213#BE0000262", + "https://go.drugbank.com/drugs/DB09213#BE0000017", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL175/", + "https://en.wikipedia.org/wiki/Ibuprofen#Pharmacology", + "https://en.wikipedia.org/wiki/Fever#PGE2_release" + ] + }, + { + "comment": "Dexibuprofen is an active enantiomer of ibuprofen.", + "directed": true, + "graph": { + "_id": "DB09213_MESH_D010146_1", + "disease": "Pain", + "disease_mesh": "HP:0012531", + "drug": "dexibuprofen", + "drug_mesh": "CHEBI:43415", + "drugbank": "DB:DB09213" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:43415", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "CHEBI:43415", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "CHEBI:26333" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0012531" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C539402", + "label": "Drug", + "name": "dexibuprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "MESH:D010146", + "label": "Disease", + "name": "Pain" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09213#BE0000262", + "https://go.drugbank.com/drugs/DB09213#BE0000017", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL175/", + "https://en.wikipedia.org/wiki/Ibuprofen#Pharmacology", + "https://en.wikipedia.org/wiki/Fever#PGE2_release" + ] + }, + { + "comment": "Dexibuprofen is an active enantiomer of ibuprofen.", + "directed": true, + "graph": { + "_id": "DB09213_MESH_D006261_1", + "disease": "Headache Disorders", + "disease_mesh": "HP:0002315", + "drug": "dexibuprofen", + "drug_mesh": "CHEBI:43415", + "drugbank": "DB:DB09213" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:43415", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "CHEBI:43415", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "CHEBI:26333" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0012531" + }, + { + "key": "manifestation of", + "source": "HP:0012531", + "target": "HP:0002315" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C539402", + "label": "Drug", + "name": "dexibuprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0012531", + "label": "PhenotypicFeature", + "name": "Pain" + }, + { + "id": "MESH:D006261", + "label": "Disease", + "name": "Headache Disorders" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09213#BE0000262", + "https://go.drugbank.com/drugs/DB09213#BE0000017", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL175/", + "https://en.wikipedia.org/wiki/Ibuprofen#Pharmacology", + "https://en.wikipedia.org/wiki/Fever#PGE2_release" + ] + }, + { + "comment": "Dexibuprofen is an active enantiomer of ibuprofen.", + "directed": true, + "graph": { + "_id": "DB09213_MESH_D004412_1", + "disease": "Dysmenorrhea", + "disease_mesh": "HP:0100607", + "drug": "dexibuprofen", + "drug_mesh": "CHEBI:43415", + "drugbank": "DB:DB09213" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:43415", + "target": "UniProt:P23219" + }, + { + "key": "decreases activity of", + "source": "CHEBI:43415", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P23219", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "CHEBI:26333" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26333", + "target": "HP:0012531" + }, + { + "key": "manifestation of", + "source": "HP:0012531", + "target": "HP:0100607" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C539402", + "label": "Drug", + "name": "dexibuprofen" + }, + { + "id": "UniProt:P23219", + "label": "Protein", + "name": "Prostaglandin G/H synthase 1" + }, + { + "id": "UniProt:P35354", + "label": "Protein", + "name": "Prostaglandin G/H synthase 2" + }, + { + "id": "reactome:R-HSA-2162123", + "label": "Pathway", + "name": "Synthesis of Prostaglandins (PG) and Thromboxanes (TX)" + }, + { + "id": "MESH:D011453", + "label": "ChemicalSubstance", + "name": "Prostaglandins" + }, + { + "id": "HP:0012531", + "label": "PhenotypicFeature", + "name": "Pain" + }, + { + "id": "MESH:D004412", + "label": "Disease", + "name": "Dysmenorrhea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09213#BE0000262", + "https://go.drugbank.com/drugs/DB09213#BE0000017", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL175/", + "https://en.wikipedia.org/wiki/Ibuprofen#Pharmacology", + "https://en.wikipedia.org/wiki/Fever#PGE2_release" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB08890_MESH_D043183_1", + "disease": "Irritable bowel syndrome", + "disease_mesh": "MONDO:0005052", + "drug": "linaclotide", + "drug_mesh": "CHEBI:68551", + "drugbank": "DB:DB08890" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:68551", + "target": "UniProt:P25092" + }, + { + "key": "positively regulates", + "source": "UniProt:P25092", + "target": "GO:0006182" + }, + { + "key": "increases activity of", + "source": "GO:0006182", + "target": "UBERON:0025525" + }, + { + "key": "negatively correlated with", + "source": "UBERON:0025525", + "target": "HP:0030895" + }, + { + "key": "decreases activity of", + "source": "GO:0006182", + "target": "UBERON:0001800" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001800", + "target": "HP:0012531" + }, + { + "key": "manifestation of", + "source": "HP:0030895", + "target": "MONDO:0005052" + }, + { + "key": "manifestation of", + "source": "HP:0012531", + "target": "MONDO:0005052" + }, + { + "key": "positively correlated with", + "source": "GO:0006182", + "target": "GO:0015701" + }, + { + "key": "positively correlated with", + "source": "GO:0006182", + "target": "GO:0006821" + }, + { + "key": "positively correlated with", + "source": "GO:0006182", + "target": "GO:0006833" + }, + { + "key": "positively correlated with", + "source": "GO:0015701", + "target": "UBERON:0002466" + }, + { + "key": "positively correlated with", + "source": "GO:0006821", + "target": "UBERON:0002466" + }, + { + "key": "positively correlated with", + "source": "GO:0006833", + "target": "UBERON:0002466" + }, + { + "key": "positively correlated with", + "source": "GO:0015701", + "target": "GO:0120054" + }, + { + "key": "positively correlated with", + "source": "GO:0006821", + "target": "GO:0120054" + }, + { + "key": "positively correlated with", + "source": "GO:0006833", + "target": "GO:0120054" + }, + { + "key": "negatively correlated with", + "source": "GO:0120054", + "target": "MONDO:0005052" + }, + { + "key": "negatively correlated with", + "source": "UBERON:0002466", + "target": "MONDO:0005052" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C523483", + "label": "Drug", + "name": "linaclotide" + }, + { + "id": "UniProt:P25092", + "label": "Protein", + "name": "Heat-stable enterotoxin receptor" + }, + { + "id": "GO:0006182", + "label": "BiologicalProcess", + "name": "cGMP biosynthetic process" + }, + { + "id": "GO:0015701", + "label": "BiologicalProcess", + "name": "bicarbonate transport" + }, + { + "id": "GO:0006821", + "label": "BiologicalProcess", + "name": "chloride transport" + }, + { + "id": "GO:0006833", + "label": "BiologicalProcess", + "name": "water transport" + }, + { + "id": "MESH:D007419", + "label": "ChemicalSubstance", + "name": "Intestinal Secretions" + }, + { + "id": "GO:0120054", + "label": "BiologicalProcess", + "name": "intestinal motility" + }, + { + "id": "UBERON:0001800", + "label": "GrossAnatomicalStructure", + "name": "sensory ganglion" + }, + { + "id": "UBERON:0025525", + "label": "GrossAnatomicalStructure", + "name": "motor system" + }, + { + "id": "HP:0030895", + "label": "PhenotypicFeature", + "name": "Abnormal gastrointestinal motility" + }, + { + "id": "HP:0012531", + "label": "PhenotypicFeature", + "name": "Pain" + }, + { + "id": "MESH:D043183", + "label": "Disease", + "name": "Irritable bowel syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08890#mechanism-of-action", + "https://en.wikipedia.org/wiki/Linaclotide#Pharmacology" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06480_MESH_D003248_1", + "disease": "Constipation", + "disease_mesh": "MONDO:0002203", + "drug": "prucalopride", + "drug_mesh": "CHEBI:135552", + "drugbank": "DB:DB06480" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:135552", + "target": "UniProt:Q13639" + }, + { + "key": "positively regulates", + "source": "UniProt:Q13639", + "target": "GO:0061526" + }, + { + "key": "positively correlated with", + "source": "GO:0061526", + "target": "GO:0120054" + }, + { + "key": "negatively correlated with", + "source": "GO:0120054", + "target": "MONDO:0002203" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C406662", + "label": "Drug", + "name": "prucalopride" + }, + { + "id": "UniProt:Q13639", + "label": "Protein", + "name": "5-hydroxytryptamine receptor 4" + }, + { + "id": "GO:0061526", + "label": "BiologicalProcess", + "name": "acetylcholine secretion" + }, + { + "id": "GO:0120054", + "label": "BiologicalProcess", + "name": "intestinal motility" + }, + { + "id": "MESH:D003248", + "label": "Disease", + "name": "Constipation" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06480#mechanism-of-action", + "https://en.wikipedia.org/wiki/Prucalopride#Mechanism_of_action" + ] + }, + { + "comments": "The disease is denoted Menopausal flushing in the original file as per DrugCentral. The etiology of hot flashes has yet to be determined (https://pubmed.ncbi.nlm.nih.gov/15065632/).", + "directed": true, + "graph": { + "_id": "DB06401_MESH_D019584_1", + "disease": "Hot Flashes", + "disease_mesh": "HP:0031217", + "drug": "bazedoxifene", + "drug_mesh": "CHEBI:135947", + "drugbank": "DB:DB06401" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:135947", + "target": "UniProt:P03372" + }, + { + "key": "increases activity of", + "source": "CHEBI:135947", + "target": "UniProt:Q92731" + }, + { + "key": "positively regulates", + "source": "UniProt:P03372", + "target": "GO:0006874" + }, + { + "key": "regulates", + "source": "UniProt:Q92731", + "target": "GO:0097746" + }, + { + "key": "correlated with", + "source": "GO:0097746", + "target": "UMLS:C0042404" + }, + { + "key": "regulates", + "source": "GO:0006874", + "target": "UMLS:C0042404" + }, + { + "key": "positively regulates", + "source": "UMLS:C0042404", + "target": "GO:0001659" + }, + { + "key": "negatively correlated with", + "source": "GO:0001659", + "target": "HP:0005968" + }, + { + "key": "positively correlated with", + "source": "HP:0005968", + "target": "HP:0031217" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C447119", + "label": "Drug", + "name": "bazedoxifene" + }, + { + "id": "UniProt:P03372", + "label": "Protein", + "name": "Estrogen receptor" + }, + { + "id": "UniProt:Q92731", + "label": "Protein", + "name": "Estrogen receptor beta" + }, + { + "id": "GO:0097746", + "label": "BiologicalProcess", + "name": "blood vessel diameter maintenance" + }, + { + "id": "GO:0006874", + "label": "BiologicalProcess", + "name": "cellular calcium ion homeostasis" + }, + { + "id": "MESH:D014666", + "label": "GrossAnatomicalStructure", + "name": "Vasomotor System" + }, + { + "id": "GO:0001659", + "label": "BiologicalProcess", + "name": "temperature homeostasis" + }, + { + "id": "HP:0005968", + "label": "PhenotypicFeature", + "name": "Temperature instability" + }, + { + "id": "MESH:D019584", + "label": "Disease", + "name": "Hot Flashes" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06401#mechanism-of-action", + "https://en.wikipedia.org/wiki/Bazedoxifene#Pharmacology", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL46740/" + ] + }, + { + "comments": "The disease is denoted Postmenopausal osteoporosis in the original file as per DrugCentral.", + "directed": true, + "graph": { + "_id": "DB06401_MESH_D015663_1", + "disease": "Osteoporosis, Postmenopausal", + "disease_mesh": "MONDO:0008159", + "drug": "bazedoxifene", + "drug_mesh": "CHEBI:135947", + "drugbank": "DB:DB06401" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:135947", + "target": "UniProt:P03372" + }, + { + "key": "increases activity of", + "source": "CHEBI:135947", + "target": "UniProt:Q92731" + }, + { + "key": "positively regulates", + "source": "UniProt:P03372", + "target": "GO:0006874" + }, + { + "key": "positively correlated with", + "source": "GO:0006874", + "target": "GO:0001503" + }, + { + "key": "positively correlated with", + "source": "UniProt:Q92731", + "target": "GO:0001503" + }, + { + "key": "negatively correlated with", + "source": "GO:0001503", + "target": "MONDO:0008159" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C447119", + "label": "Drug", + "name": "bazedoxifene" + }, + { + "id": "UniProt:P03372", + "label": "Protein", + "name": "Estrogen receptor" + }, + { + "id": "UniProt:Q92731", + "label": "Protein", + "name": "Estrogen receptor beta" + }, + { + "id": "GO:0001503", + "label": "BiologicalProcess", + "name": "ossification" + }, + { + "id": "GO:0006874", + "label": "BiologicalProcess", + "name": "cellular calcium ion homeostasis" + }, + { + "id": "MESH:D015663", + "label": "Disease", + "name": "Osteoporosis, Postmenopausal" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06401#mechanism-of-action", + "https://en.wikipedia.org/wiki/Bazedoxifene#Pharmacology", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL46740/" + ] + }, + { + "comment": "The drug enables ribosomes to bypass premature stop codons caused by nonsense mutations in the dystrophin gene. This restores the full-length and functional capability of dystrophin. Without the drug, the premature stop codon means that a truncated protein will be produced, which will be unabled to play its role in muscle strenght and proper function leading to the disease. The disease is denoted Duchenne muscular dystrophy in the original file as per DrugCentral.", + "directed": true, + "graph": { + "_id": "DB05016_MESH_D020388_1", + "disease": "Muscular Dystrophy, Duchenne", + "disease_mesh": "MONDO:0010679", + "drug": "ataluren", + "drug_mesh": "CHEBI:94805", + "drugbank": "DB:DB05016" + }, + "links": [ + { + "key": "positively correlated with", + "source": "CHEBI:94805", + "target": "UniProt:P11532" + }, + { + "key": "disrupted by", + "source": "UniProt:P11532", + "target": "MESH:D018389" + }, + { + "key": "predisposes", + "source": "MESH:D018389", + "target": "MESH:D059365" + }, + { + "key": "positively correlated with", + "source": "MESH:D059365", + "target": "HP:0003323" + }, + { + "key": "manifestation of", + "source": "HP:0003323", + "target": "MONDO:0010679" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C515878", + "label": "Drug", + "name": "ataluren" + }, + { + "id": "UniProt:P11532", + "label": "Protein", + "name": "Dystrophin" + }, + { + "id": "MESH:D018389", + "label": "ChemicalSubstance", + "name": "Codon, Nonsense" + }, + { + "id": "MESH:D059365", + "label": "BiologicalProcess", + "name": "Nonsense Mediated mRNA Decay" + }, + { + "id": "HP:0003323", + "label": "PhenotypicFeature", + "name": "Progressive muscle weakness" + }, + { + "id": "MESH:D020388", + "label": "Disease", + "name": "Muscular Dystrophy, Duchenne" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB05016#mechanism-of-action", + "https://en.wikipedia.org/wiki/Ataluren#Pharmacology" + ] + }, + { + "comment": "MESH:C061212 is not an alternative MESH ID for this drug (https://meshb.nlm.nih.gov/record/ui?ui=C061212).", + "directed": true, + "graph": { + "_id": "DB01057_MESH_D004948_1", + "disease": "Esotropia", + "disease_mesh": "MONDO:0004896", + "drug": "Echothiophate Iodide", + "drug_mesh": "CHEBI:4753", + "drugbank": "DB:DB01057" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:4753", + "target": "UniProt:P22303" + }, + { + "key": "decreases activity of", + "source": "CHEBI:4753", + "target": "UniProt:P06276" + }, + { + "key": "positively regulates", + "source": "UniProt:P06276", + "target": "GO:0003990" + }, + { + "key": "decreases abundance of", + "source": "GO:0003990", + "target": "CHEBI:15355" + }, + { + "key": "positively regulates", + "source": "UniProt:P22303", + "target": "GO:0006581" + }, + { + "key": "decreases abundance of", + "source": "GO:0006581", + "target": "CHEBI:15355" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:15355", + "target": "HP:0000549" + }, + { + "key": "manifestation of", + "source": "HP:0000549", + "target": "MONDO:0004896" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004456", + "label": "Drug", + "name": "Echothiophate Iodide" + }, + { + "id": "UniProt:P22303", + "label": "Protein", + "name": "Acetylcholinesterase" + }, + { + "id": "UniProt:P06276", + "label": "Protein", + "name": "Cholinesterase" + }, + { + "id": "GO:0003990", + "label": "MolecularActivity", + "name": "acetylcholinesterase activity" + }, + { + "id": "GO:0006581", + "label": "BiologicalProcess", + "name": "acetylcholine catabolic process" + }, + { + "id": "MESH:D000109", + "label": "ChemicalSubstance", + "name": "Acetylcholine" + }, + { + "id": "HP:0000549", + "label": "PhenotypicFeature", + "name": "Abnormal conjugate eye movement" + }, + { + "id": "MESH:D004948", + "label": "Disease", + "name": "Esotropia" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201341/", + "https://go.drugbank.com/drugs/DB01057#BE0002180" + ] + }, + { + "comment": "The drug allows for the trabecular meshwork in the eye (UBERON:0005969) to open, increasing the outflow of the aqueous humor and having a positive impact on reducing intraocular pressure. Note that MESH:C061212 is not an alternative MESH ID for this drug (https://meshb.nlm.nih.gov/record/ui?ui=C061212). The disease is also known as Open-angle glaucoma as per in DrugCentral.", + "directed": true, + "graph": { + "_id": "DB01057_MESH_D005902_1", + "disease": "Glaucoma, Open-Angle", + "disease_mesh": "MONDO:0005338", + "drug": "Echothiophate Iodide", + "drug_mesh": "CHEBI:4753", + "drugbank": "DB:DB01057" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:4753", + "target": "UniProt:P22303" + }, + { + "key": "decreases activity of", + "source": "CHEBI:4753", + "target": "UniProt:P06276" + }, + { + "key": "positively regulates", + "source": "UniProt:P06276", + "target": "GO:0003990" + }, + { + "key": "decreases abundance of", + "source": "GO:0003990", + "target": "CHEBI:15355" + }, + { + "key": "positively regulates", + "source": "UniProt:P22303", + "target": "GO:0006581" + }, + { + "key": "decreases abundance of", + "source": "GO:0006581", + "target": "CHEBI:15355" + }, + { + "key": "positively correlated with", + "source": "CHEBI:15355", + "target": "HP:0000616" + }, + { + "key": "negatively correlated with", + "source": "HP:0000616", + "target": "UBERON:0001796" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001796", + "target": "HP:0007906" + }, + { + "key": "manifestation of", + "source": "HP:0007906", + "target": "MONDO:0005338" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004456", + "label": "Drug", + "name": "Echothiophate Iodide" + }, + { + "id": "UniProt:P22303", + "label": "Protein", + "name": "Acetylcholinesterase" + }, + { + "id": "UniProt:P06276", + "label": "Protein", + "name": "Cholinesterase" + }, + { + "id": "GO:0003990", + "label": "MolecularActivity", + "name": "acetylcholinesterase activity" + }, + { + "id": "GO:0006581", + "label": "BiologicalProcess", + "name": "acetylcholine catabolic process" + }, + { + "id": "MESH:D000109", + "label": "ChemicalSubstance", + "name": "Acetylcholine" + }, + { + "id": "HP:0000616", + "label": "PhenotypicFeature", + "name": "Miosis" + }, + { + "id": "UBERON:0001796", + "label": "GrossAnatomicalStructure", + "name": "aqueous humor of eyeball" + }, + { + "id": "HP:0007906", + "label": "PhenotypicFeature", + "name": "Ocular hypertension" + }, + { + "id": "MESH:D005902", + "label": "Disease", + "name": "Glaucoma, Open-Angle" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201341/", + "https://go.drugbank.com/drugs/DB01057#BE0002180" + ] + }, + { + "comment": "The drug allows for the trabecular meshwork in the eye (UBERON:0005969) to open, increasing the outflow of the aqueous humor and having a positive impact on reducing intraocular pressure. Note that MESH:C061212 is not an alternative MESH ID for this drug (https://meshb.nlm.nih.gov/record/ui?ui=C061212).", + "directed": true, + "graph": { + "_id": "DB01057_MESH_D005901_1", + "disease": "Glaucoma", + "disease_mesh": "MONDO:0005041", + "drug": "Echothiophate Iodide", + "drug_mesh": "CHEBI:4753", + "drugbank": "DB:DB01057" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:4753", + "target": "UniProt:P22303" + }, + { + "key": "decreases activity of", + "source": "CHEBI:4753", + "target": "UniProt:P06276" + }, + { + "key": "positively regulates", + "source": "UniProt:P06276", + "target": "GO:0003990" + }, + { + "key": "decreases abundance of", + "source": "GO:0003990", + "target": "CHEBI:15355" + }, + { + "key": "positively regulates", + "source": "UniProt:P22303", + "target": "GO:0006581" + }, + { + "key": "decreases abundance of", + "source": "GO:0006581", + "target": "CHEBI:15355" + }, + { + "key": "positively correlated with", + "source": 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"PhenotypicFeature", + "name": "Miosis" + }, + { + "id": "UBERON:0001796", + "label": "GrossAnatomicalStructure", + "name": "aqueous humor of eyeball" + }, + { + "id": "HP:0007906", + "label": "PhenotypicFeature", + "name": "Ocular hypertension" + }, + { + "id": "MESH:D005901", + "label": "Disease", + "name": "Glaucoma" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201341/", + "https://go.drugbank.com/drugs/DB01057#BE0002180" + ] + }, + { + "comment": "MESH:C061212 is not an alternative MESH ID for this drug (https://meshb.nlm.nih.gov/record/ui?ui=C061212).", + "directed": true, + "graph": { + "_id": "DB01057_MESH_D000080362_1", + "disease": "Stargardt's disease", + "disease_mesh": "MONDO:0019353", + "drug": "Echothiophate Iodide", + "drug_mesh": "CHEBI:4753", + "drugbank": "DB:DB01057" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:4753", + "target": "UniProt:P22303" + }, + { + "key": "decreases activity of", + 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regulates", + "source": "MESH:C446479", + "target": "Pfam:PF00905" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00905", + "target": "GO:0009252" + }, + { + "key": "in taxon", + "source": "GO:0009252", + "target": "taxonomy:1313" + }, + { + "key": "causes", + "source": "taxonomy:1313", + "target": "MONDO:0005972" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C446479", + "label": "Drug", + "name": "ertapenem" + }, + { + "id": "Pfam:PF00905", + "label": "GeneFamily", + "name": "Penicillin binding proteins" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "taxonomy:1313", + "label": "OrganismTaxon", + "name": "Streptococcus pneumoniae" + }, + { + "id": "MESH:D011018", + "label": "Disease", + "name": "Pneumococcal pneumonia" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Ertapenem#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1359/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00303_MESH_D059413_1", + "disease": "Infectious disease of abdomen", + "disease_mesh": "UMLS:C1112209", + "drug": "ertapenem", + "drug_mesh": "MESH:C446479", + "drugbank": "DB:DB00303" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C446479", + "target": "Pfam:PF00905" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00905", + "target": "GO:0009252" + }, + { + "key": "in taxon", + "source": "GO:0009252", + "target": "taxonomy:562" + }, + { + "key": "in taxon", + "source": "GO:0009252", + "target": "taxonomy:573" + }, + { + "key": "in taxon", + "source": "GO:0009252", + "target": "taxonomy:550" + }, + { + "key": "in taxon", + "source": "GO:0009252", + "target": "taxonomy:287" + }, + { + "key": "causes", + "source": "taxonomy:573", + "target": "UMLS:C1112209" + }, + { + "key": "causes", + "source": "taxonomy:550", + "target": "UMLS:C1112209" + }, + { + "key": "causes", + "source": "taxonomy:287", + "target": "UMLS:C1112209" + }, + { + "key": "causes", + "source": "taxonomy:562", + "target": "UMLS:C1112209" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C446479", + "label": "Drug", + "name": "ertapenem" + }, + { + "id": "Pfam:PF00905", + "label": "GeneFamily", + "name": "Penicillin binding proteins" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "taxonomy:562", + "label": "OrganismTaxon", + "name": "Escherichia coli" + }, + { + "id": "taxonomy:573", + "label": "OrganismTaxon", + "name": "Klebsiella pneumoniae" + }, + { + "id": "taxonomy:550", + "label": "OrganismTaxon", + "name": "Enterobacter cloacae" + }, + { + "id": "taxonomy:287", + "label": "OrganismTaxon", + "name": "Pseudomonas aeruginosa" + }, + { + "id": "MESH:D059413", + "label": "Disease", + "name": "Infectious disease of abdomen" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Ertapenem#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1359/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00303_MESH_D018410_2", + "disease": "Bacterial pneumonia", + "disease_mesh": "MONDO:0004652", + "drug": "ertapenem", + "drug_mesh": "MESH:C446479", + "drugbank": "DB:DB00303" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C446479", + "target": "Pfam:PF00905" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00905", + "target": "GO:0009252" + }, + { + "key": "in taxon", + "source": "GO:0009252", + "target": "taxonomy:562" + }, + { + "key": "causes", + "source": "taxonomy:562", + "target": "MONDO:0004652" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C446479", + "label": "Drug", + "name": "ertapenem" + }, + { + "id": "Pfam:PF00905", + "label": "GeneFamily", + "name": "Penicillin binding proteins" + }, + { + "id": "GO:0009252", + "label": "BiologicalProcess", + "name": "peptidoglycan biosynthetic process" + }, + { + "id": "taxonomy:562", + "label": "OrganismTaxon", + "name": "Escherichia coli" + }, + { + "id": "MESH:D018410", + "label": "Disease", + "name": "Bacterial pneumonia" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Ertapenem#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1359/" + ] + }, + { + "comment": "L-type calcium channels are modulated by the adrenergic nervous system, hence betaxolol could indirectly modulate L calcium channels, decreasing heart rate and contraction, ultimately decreasing high blood pressure (https://en.wikipedia.org/wiki/L-type_calcium_channel#Inhibition_and_modulation).", + "directed": true, + "graph": { + "_id": "DB00195_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MONDO:0005044", + "drug": "betaxolol", + "drug_mesh": "CHEBI:3082", + "drugbank": "DB:DB00195" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:3082", + "target": "UniProt:P08588" + }, + { + "key": "participates in", + "source": "UniProt:P08588", + "target": "reactome:R-HSA-418555" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-418555", + "target": "CHEBI:17489" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-418555", + "target": "InterPro:IPR005446" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR005446", + "target": "GO:0060047" + }, + { + "key": "positively correlated with", + "source": "GO:0060047", + "target": "HP:0032263" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17489", + "target": "GO:0060047" + }, + { + "key": "manifestation of", + "source": "HP:0032263", + "target": "MONDO:0005044" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D015784", + "label": "Drug", + "name": "betaxolol" + }, + { + "id": "UniProt:P08588", + "label": "Protein", + "name": "Beta-1 adrenergic receptor" + }, + { + "id": "reactome:R-HSA-418555", + "label": "Pathway", + "name": "G alpha (s) signalling events" + }, + { + "id": "InterPro:IPR005446", + "label": "GeneFamily", + "name": "Voltage-dependent calcium channel, L-type, alpha-1 subunit" + }, + { + "id": "CHEBI:17489", + "label": "ChemicalSubstance", + "name": "3,5-cyclic AMP" + }, + { + "id": "GO:0060047", + "label": "BiologicalProcess", + "name": "heart contraction" + }, + { + "id": "HP:0032263", + "label": "PhenotypicFeature", + "name": "Increased blood pressure" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00195#mechanism-of-action", + "https://en.wikipedia.org/wiki/Betaxolol", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL423/", + "https://pubchem.ncbi.nlm.nih.gov/compound/2369#section=Pharmacology-and-Biochemistry", + "https://en.wikipedia.org/wiki/CAMP-dependent_pathway#Importance" + ] + }, + { + "comment": "This disease is also known as Herpes simplex keratitis as per DrugCentral. The drug needs to be converted to Vidarabine Phosphate first (monophosphate --> diphosphate --> triphosphate) to become active and exert its role as inhibitor (https://pubchem.ncbi.nlm.nih.gov/compound/21704#section=Mechanism-of-Action).", + "directed": true, + "graph": { + "_id": "DB00194_MESH_D016849_1", + "disease": "Keratitis, Herpetic", + "disease_mesh": "MONDO:0015288", + "drug": "vidarabine", + "drug_mesh": "CHEBI:45327", + "drugbank": "DB:DB00194" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:45327", + "target": "PUBCHEM.COMPOUND:34768" + }, + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:34768", + "target": "UniProt:P04293" + }, + { + "key": "positively regulates", + "source": "UniProt:P04293", + "target": "GO:0039686" + }, + { + "key": "positively regulates", + "source": "UniProt:P04293", + "target": "GO:0090503" + }, + { + "key": "positively regulates", + "source": "UniProt:P04293", + "target": "GO:0043631" + }, + { + "key": "in taxon", + "source": "GO:0043631", + "target": "taxonomy:10299" + }, + { + "key": "in taxon", + "source": "GO:0039686", + "target": "taxonomy:10299" + }, + { + "key": "in taxon", + "source": "GO:0090503", + "target": "taxonomy:10299" + }, + { + "key": "causes", + "source": "taxonomy:10299", + "target": "MONDO:0015288" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014740", + "label": "Drug", + "name": "vidarabine" + }, + { + "id": "MESH:D001084", + "label": "ChemicalSubstance", + "name": "Vidarabine Phosphate" + }, + { + "id": "UniProt:P04293", + "label": "Protein", + "name": "DNA polymerase catalytic subunit" + }, + { + "id": "GO:0039686", + "label": "BiologicalProcess", + "name": "bidirectional double-stranded viral DNA replication" + }, + { + "id": "GO:0090503", + "label": "BiologicalProcess", + "name": "RNA phosphodiester bond hydrolysis, exonucleolytic" + }, + { + "id": "GO:0043631", + "label": "BiologicalProcess", + "name": "RNA polyadenylation" + }, + { + "id": "taxonomy:10299", + "label": "OrganismTaxon", + "name": "Human alphaherpesvirus 1 strain 17" + }, + { + "id": "MESH:D016849", + "label": "Disease", + "name": "Keratitis, Herpetic" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1090/", + "https://en.wikipedia.org/wiki/Vidarabine#Mode_of_action", + "https://go.drugbank.com/drugs/DB00194" + ] + }, + { + "comment": "This disease is denoted as Herpes simplex dendritic keratitis in the original file as per DrugCentral. The drug needs to be converted to Vidarabine Phosphate first (monophosphate --> diphosphate --> triphosphate) to become active and exert its role as inhibitor (https://pubchem.ncbi.nlm.nih.gov/compound/21704#section=Mechanism-of-Action).", + "directed": true, + "graph": { + "_id": "DB00194_MESH_D007635_1", + "disease": "Keratitis, Dendritic", + "disease_mesh": "MONDO:0015288", + "drug": "vidarabine", + "drug_mesh": "CHEBI:45327", + "drugbank": "DB:DB00194" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:45327", + "target": "PUBCHEM.COMPOUND:34768" + }, + { + "key": "decreases activity of", + "source": "PUBCHEM.COMPOUND:34768", + "target": "UniProt:P04293" + }, + { + "key": "positively regulates", + "source": "UniProt:P04293", + "target": "GO:0039686" + }, + { + "key": "positively regulates", + "source": "UniProt:P04293", + "target": "GO:0090503" + }, + { + "key": "positively regulates", + "source": "UniProt:P04293", + "target": "GO:0043631" + }, + { + "key": "in taxon", + "source": "GO:0043631", + "target": "taxonomy:10299" + }, + { + "key": "in taxon", + "source": "GO:0039686", + "target": "taxonomy:10299" + }, + { + "key": "in taxon", + "source": "GO:0090503", + "target": "taxonomy:10299" + }, + { + "key": "causes", + "source": "taxonomy:10299", + "target": "MONDO:0015288" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014740", + "label": "Drug", + "name": "vidarabine" + }, + { + "id": "MESH:D001084", + "label": "ChemicalSubstance", + "name": "Vidarabine Phosphate" + }, + { + "id": "UniProt:P04293", + "label": "Protein", + "name": "DNA polymerase catalytic subunit" + }, + { + "id": "GO:0039686", + "label": "BiologicalProcess", + "name": "bidirectional double-stranded viral DNA replication" + }, + { + "id": "GO:0090503", + "label": "BiologicalProcess", + "name": "RNA phosphodiester bond hydrolysis, exonucleolytic" + }, + { + "id": "GO:0043631", + "label": "BiologicalProcess", + "name": "RNA polyadenylation" + }, + { + "id": "taxonomy:10299", + "label": "OrganismTaxon", + "name": "Human alphaherpesvirus 1 strain 17" + }, + { + "id": "MESH:D007635", + "label": "Disease", + "name": "Keratitis, Dendritic" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1090/", + "https://en.wikipedia.org/wiki/Vidarabine#Mode_of_action", + "https://go.drugbank.com/drugs/DB00194" + ] + }, + { + "comment": "This disease is denoted as Malignant neoplasm of liver in the original file as per DrugCentral.", + "directed": true, + "graph": { + "_id": "DB00322_MESH_D008113_1", + "disease": "Liver Neoplasms", + "disease_mesh": "MONDO:0024477", + "drug": "floxuridine", + "drug_mesh": "CHEBI:60761", + "drugbank": "DB:DB00322" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:60761", + "target": "CHEBI:46345" + }, + { + "key": "decreases activity of", + "source": "CHEBI:46345", + "target": "UniProt:P04818" + }, + { + "key": "positively regulates", + "source": "UniProt:P04818", + "target": "GO:0006235" + }, + { + "key": "positively regulates", + "source": "UniProt:P04818", + "target": "GO:0006231" + }, + { + "key": "positively correlated with", + "source": "GO:0006231", + "target": "GO:0006260" + }, + { + "key": "positively correlated with", + "source": "GO:0006235", + "target": "GO:0006260" + }, + { + "key": "precedes", + "source": "GO:0006260", + "target": "HP:0031377" + }, + { + "key": "positively correlated with", + "source": "HP:0031377", + "target": "MONDO:0024477" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005467", + "label": "Drug", + "name": "floxuridine" + }, + { + "id": "CHEBI:46345", + "label": "ChemicalSubstance", + "name": "5-fluorouracil" + }, + { + "id": "UniProt:P04818", + "label": "Protein", + "name": "Thymidylate synthase" + }, + { + "id": "GO:0006235", + "label": "BiologicalProcess", + "name": "dTTP biosynthetic process" + }, + { + "id": "GO:0006231", + "label": "BiologicalProcess", + "name": "dTMP biosynthetic process" + }, + { + "id": "GO:0006260", + "label": "BiologicalProcess", + "name": "DNA replication" + }, + { + "id": "HP:0031377", + "label": "PhenotypicFeature", + "name": "Abnormal cell proliferation" + }, + { + "id": "MESH:D008113", + "label": "Disease", + "name": "Liver Neoplasms" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00322#mechanism-of-action", + "https://en.wikipedia.org/wiki/Floxuridine#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Fluorouracil#Mechanism_of_action" + ] + }, + { + "comments": "The MESH disease term (MESH:D002289) is known as Carcinoma, Non-Small-Cell Lung on the MESH website.", + "directed": true, + "graph": { + "_id": "DB00361_MESH_D002289_1", + "disease": "Non-small cell lung cancer", + "disease_mesh": "MONDO:0005233", + "drug": "vinorelbine", + "drug_mesh": "MESH:C030852", + "drugbank": "DB:DB00361" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C030852", + "target": "InterPro:IPR000217" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR000217", + "target": "GO:0000086" + }, + { + "key": "positively correlated with", + "source": "GO:0000086", + "target": "GO:0051301" + }, + { + "key": "positively correlated with", + "source": "GO:0051301", + "target": "HP:0031377" + }, + { + "key": "positively correlated with", + "source": "HP:0031377", + "target": "MONDO:0005233" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C030852", + "label": "Drug", + "name": "vinorelbine" + }, + { + "id": "InterPro:IPR000217", + "label": "GeneFamily", + "name": "Tubulin" + }, + { + "id": "GO:0000086", + "label": "BiologicalProcess", + "name": "G2/M transition of mitotic cell cycle" + }, + { + "id": "GO:0051301", + "label": "BiologicalProcess", + "name": "cell division" + }, + { + "id": "HP:0031377", + "label": "PhenotypicFeature", + "name": "Abnormal cell proliferation" + }, + { + "id": "MESH:D002289", + "label": "Disease", + "name": "Non-small cell lung cancer" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL553025/", + "https://go.drugbank.com/drugs/DB00361#mechanism-of-action", + "https://en.wikipedia.org/wiki/Vinorelbine#Pharmacology" + ] + }, + { + "comments": "Term MESH:D011537 is also known as pruritus.", + "directed": true, + "graph": { + "_id": "DB03255_MESH_D011537_1", + "disease": "Itching of skin", + "disease_mesh": "HP:0000989", + "drug": "phenol", + "drug_mesh": "CHEBI:15882", + "drugbank": "DB:DB03255" + }, + "links": [ + { + "key": "subclass of", + "source": "CHEBI:15882", + "target": "CHEBI:59683" + }, + { + "key": "subclass of", + "source": "CHEBI:15882", + "target": "CHEBI:35441" + }, + { + "key": "ameliorates", + "source": "CHEBI:59683", + "target": "HP:0000989" + }, + { + "key": "ameliorates", + "source": "CHEBI:35441", + "target": "HP:0000989" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D019800", + "label": "Drug", + "name": "phenol" + }, + { + "id": "MESH:D000982", + "label": "ChemicalSubstance", + "name": "Antipruritics" + }, + { + "id": "MESH:D000890", + "label": "ChemicalSubstance", + "name": "Anti-Infective Agents" + }, + { + "id": "MESH:D011537", + "label": "Disease", + "name": "Itching of skin" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB03255#indication", + "https://www.genome.jp/dbget-bin/www_bget?drug:D00033", + "https://pubchem.ncbi.nlm.nih.gov/compound/996#section=Pharmacology" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00112_MESH_D005909_1", + "disease": "Glioblastoma multiforme", + "disease_mesh": "MONDO:0018177", + "drug": "Bevacizumab", + "drug_mesh": "UNII:2S9ZZM9Q9V", + "drugbank": "DB:DB00112" + }, + "links": [ + { + "key": "decreases activity of", + "source": "UNII:2S9ZZM9Q9V", + "target": "UniProt:P15692" + }, + { + "key": "participates in", + "source": "UniProt:P15692", + "target": "reactome:R-HSA-194138" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-194138", + "target": 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"name": "Ethyl loflazepate" + }, + { + "id": "UniProt:P14867", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-1" + }, + { + "id": "UniProt:P47869", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-2" + }, + { + "id": "UniProt:P34903", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-3" + }, + { + "id": "UniProt:P48169", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-4" + }, + { + "id": "UniProt:P31644", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-5" + }, + { + "id": "UniProt:Q16445", + "label": "Protein", + "name": "Gamma-aminobutyric acid receptor subunit alpha-6" + }, + { + "id": "GO:0007214", + "label": "BiologicalProcess", + "name": "Gamma-aminobutyric acid signaling pathway" + }, + { + "id": "MESH:D001007", + "label": "Disease", + "name": "Anxiety" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01545", + "https://en.wikipedia.org/wiki/Gamma-Aminobutyric_acid" + ] + }, + { + "comment": "Gluconolactone is used as a component of irrigation solution Renacidin for dissolution of bladder calculi of the struvite or apatite variety.", + "directed": true, + "graph": { + "_id": "DB04564_MESH_D001744_1", + "disease": "Urinary bladder stone", + "disease_mesh": "MONDO:0006678", + "drug": "gluconolactone", + "drug_mesh": null, + "drugbank": "DB:DB04564" + }, + "links": [ + { + "key": "treats", + "source": "DB:DB04564", + "target": "MONDO:0006678" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB04564", + "label": "Drug", + "name": "Gluconolactone" + }, + { + "id": "MESH:D001744", + "label": "Disease", + "name": "Urinary bladder stone" + } + ], + "reference": [ + "https://drugs.ncats.io/drug/WQ29KQ9POT" + ] + }, + { + "comment": "Withdrawn. Glibornuride is a sulfonylurea-type anti-diabetic drug.", + "directed": true, + "graph": { + "_id": "DB08962_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MONDO:0005148", + "drug": "glibornuride", + "drug_mesh": "CHEBI:135545", + "drugbank": "DB:DB08962" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:135545", + "target": "UniProt:Q14654" + }, + { + "key": "participates in", + "source": "UniProt:Q14654", + "target": "GO:0060081" + }, + { + "key": "negatively regulates", + "source": "GO:0060081", + "target": "GO:0070509" + }, + { + "key": "positively regulates", + "source": "GO:0070509", + "target": "GO:0030073" + }, + { + "key": "negatively correlated with", + "source": "GO:0030073", + "target": "MONDO:0002909" + }, + { + "key": "manifestation of", + "source": "MONDO:0002909", + "target": "MONDO:0005148" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C073323", + "label": "Drug", + "name": "Glibornuride" + }, + { + "id": "UniProt:Q14654", + "label": "Protein", + "name": "ATP-sensitive inward rectifier potassium channel 11" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "Membrane hyperpolarization" + }, + { + "id": "GO:0070509", + "label": "BiologicalProcess", + "name": "Transmembrane calcium influx" + }, + { + "id": "GO:0030073", + "label": "BiologicalProcess", + "name": "Insulin secretion" + }, + { + "id": "HP:0003074", + "label": "PhenotypicFeature", + "name": "Hyperglycemia" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08962", + "https://en.wikipedia.org/wiki/Sulfonylurea" + ] + }, + { + "comment": "Drospirenone seems to have much lower affinity to androgen receptor than to the progesterone counterpart (https://en.wikipedia.org/wiki/Drospirenone#Pharmacology).", + "directed": true, + "graph": { + "_id": "DB01395_MESH_D000152_1", + "disease": "Acne vulgaris", + "disease_mesh": "MONDO:0011438", + "drug": "drospirenone", + "drug_mesh": "CHEBI:50838", + "drugbank": "DB:DB01395" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:50838", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0006702" + }, + { + "key": "positively regulates", + "source": "CHEBI:50838", + "target": "UniProt:P06401" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P06401", + "target": "GO:0006702" + }, + { + "key": "increases abundance of", + "source": "GO:0006702", + "target": "UBERON:0001866" + }, + { + "key": "produced by", + "source": "UBERON:0001866", + "target": "HP:0025249" + }, + { + "key": "positively correlated with", + "source": "HP:0025249", + "target": "MONDO:0011438" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C035144", + "label": "Drug", + "name": "drospirenone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0006702", + "label": "BiologicalProcess", + "name": "androgen biosynthetic process" + }, + { + "id": "UBERON:0001866", + "label": "GrossAnatomicalStructure", + "name": "sebum" + }, + { + "id": "HP:0025249", + "label": "PhenotypicFeature", + "name": "Comedo" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01395#mechanism-of-action" + ] + }, + { + "comment": "The use of progesterone, progestin and similar compounds may not be superior to placebo in reducing premenstrual symptoms judging from the results of the majority of controlled trials (https://pubmed.ncbi.nlm.nih.gov/7791258/). Also note that it is generally agreed that neither a deficiency nor excess in progesterone/progestin levels is etiologically relevant to the disorder (https://pubmed.ncbi.nlm.nih.gov/16650465/). It's largelly accepted that SSRIs as better treatment and should be the first attempt for treatment of premenstrual dysphoric disorder.", + "directed": true, + "graph": { + "_id": "DB01395_MESH_D065446_1", + "disease": "Premenstrual dysphoric disorder", + "disease_mesh": "UMLS:C0520676", + "drug": "drospirenone", + "drug_mesh": "CHEBI:50838", + "drugbank": "DB:DB01395" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:50838", + "target": "UniProt:P08235" + }, + { + "key": "positively correlated with", + "source": "UniProt:P08235", + "target": "GO:0005890" + }, + { + "key": "positively correlated with", + "source": "UniProt:P08235", + "target": "InterPro:IPR001696" + }, + { + "key": "regulates", + "source": "GO:0005890", + "target": "GO:0070294" + }, + { + "key": "regulates", + "source": "GO:0005890", + "target": "GO:0036359" + }, + { + "key": "regulates", + "source": "InterPro:IPR001696", + "target": "GO:0070294" + }, + { + "key": "correlated with", + "source": "GO:0036359", + "target": "HP:0000969" + }, + { + "key": "correlated with", + "source": "GO:0070294", + "target": "HP:0000969" + }, + { + "key": "correlated with", + "source": "GO:0036359", + "target": "HP:0034265" + }, + { + "key": "correlated with", + "source": "GO:0070294", + "target": "HP:0034265" + }, + { + "key": "manifestation of", + "source": "HP:0034265", + "target": "UMLS:C0520676" + }, + { + "key": "correlated with", + "source": "HP:0000969", + "target": "UMLS:C0520676" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C035144", + "label": "Drug", + "name": "drospirenone" + }, + { + "id": "UniProt:P08235", + "label": "Protein", + "name": "Mineralocorticoid receptor" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "GO:0005890", + "label": "CellularComponent", + "name": "sodium:potassium-exchanging ATPase complex" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "renal sodium ion absorption" + }, + { + "id": "GO:0036359", + "label": "BiologicalProcess", + "name": "renal potassium excretion" + }, + { + "id": "HP:0000969", + "label": "PhenotypicFeature", + "name": "Edema" + }, + { + "id": "MESH:D059373", + "label": "PhenotypicFeature", + "name": "Mastodynia" + }, + { + "id": "MESH:D065446", + "label": "Disease", + "name": "Premenstrual dysphoric disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01395#mechanism-of-action", + "https://en.wikipedia.org/wiki/Antimineralocorticoid#Mechanism_of_action", + "https://pubmed.ncbi.nlm.nih.gov/18472980/" + ] + }, + { + "comment": "The disease is denoted Menopausal flushing in the original file. Note that a combination therapy of estradiol and drospirenone would be more effective at reducing the frequency of hot flushes and other menopausal symptoms, than a mono-therapy relying on progestin only. Also, since many progestogens have off-target effects including estrogenic effects, the improvement in hot flashes maybe due to the drug binding to estrogen receptors instead. Note the term Vasomotor System (https://en.wikipedia.org/wiki/Vasomotor_center) does not seem to be represented in other ontologies.", + "directed": true, + "graph": { + "_id": "DB01395_MESH_D019584_1", + "disease": "Hot Flashes", + "disease_mesh": "HP:0031217", + "drug": "drospirenone", + "drug_mesh": "CHEBI:50838", + "drugbank": "DB:DB01395" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:50838", + "target": "UniProt:P06401" + }, + { + "key": "decreases abundance of", + "source": "UniProt:P06401", + "target": "Pfam:PF00446" + }, + { + "key": "positively correlated with", + "source": "Pfam:PF00446", + "target": "HP:0031217" + }, + { + "key": "correlated with", + "source": "UniProt:P06401", + "target": "UMLS:C0042404" + }, + { + "key": "positively regulates", + "source": "UMLS:C0042404", + "target": "GO:0001659" + }, + { + "key": "negatively correlated with", + "source": "GO:0001659", + "target": "HP:0005968" + }, + { + "key": "positively correlated with", + "source": "HP:0005968", + "target": "HP:0031217" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C035144", + "label": "Drug", + "name": "drospirenone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "Pfam:PF00446", + "label": "GeneFamily", + "name": "Gonadotropin-releasing hormone" + }, + { + "id": "MESH:D014666", + "label": "GrossAnatomicalStructure", + "name": "Vasomotor System" + }, + { + "id": "GO:0001659", + "label": "BiologicalProcess", + "name": "temperature homeostasis" + }, + { + "id": "HP:0005968", + "label": "PhenotypicFeature", + "name": "Temperature instability" + }, + { + "id": "MESH:D019584", + "label": "Disease", + "name": "Hot Flashes" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01395#mechanism-of-action", + "https://en.wikipedia.org/wiki/Progestogen_(medication)#Pharmacodynamics", + "https://www.tandfonline.com/doi/full/10.1080/13697137.2018.1472567", + "https://journals.lww.com/co-endocrinology/Abstract/2015/12000/Progesterone_or_progestin_as_menopausal_ovarian.13.aspx" + ] + }, + { + "comment": "Note that the combination therapy of estradiol and drospirenone would be more effective at treating atrophic vaginitis, than a mono-therapy relying on progestin only. Also, since many progestogens have off-target effects including estrogenic effects, the improvement in hot flashes maybe due to the drug binding to estrogen receptors instead.", + "directed": true, + "graph": { + "_id": "DB01395_MESH_D059268_1", + "disease": "Atrophic vaginitis", + "disease_mesh": "MONDO:0001410", + "drug": "drospirenone", + "drug_mesh": "CHEBI:50838", + "drugbank": "DB:DB01395" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:50838", + "target": "UniProt:P06401" + }, + { + "key": "participates in", + "source": "UniProt:P06401", + "target": "reactome:R-HSA-9018519" + }, + { + "key": "negatively correlated with", + "source": "reactome:R-HSA-9018519", + "target": "HP:0031088" + }, + { + "key": "negatively correlated with", + "source": "reactome:R-HSA-9018519", + "target": "MONDO:0002234" + }, + { + "key": "manifestation of", + "source": "MONDO:0002234", + "target": "MONDO:0001410" + }, + { + "key": "manifestation of", + "source": "HP:0031088", + "target": "MONDO:0001410" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C035144", + "label": "Drug", + "name": "drospirenone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "reactome:R-HSA-9018519", + "label": "Pathway", + "name": "Estrogen-dependent gene expression" + }, + { + "id": "HP:0030683", + "label": "PhenotypicFeature", + "name": "Vaginitis" + }, + { + "id": "HP:0031088", + "label": "PhenotypicFeature", + "name": "Vaginal dryness" + }, + { + "id": "MESH:D059268", + "label": "Disease", + "name": "Atrophic vaginitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01395#mechanism-of-action", + "https://en.wikipedia.org/wiki/Antimineralocorticoid#Mechanism_of_action", + "https://pubmed.ncbi.nlm.nih.gov/18472980/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00295_MESH_D003967_1", + "disease": "Diarrhea", + "disease_mesh": "MONDO:0001673", + "drug": "morphine", + "drug_mesh": "CHEBI:17303", + "drugbank": "DB:DB00295" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:17303", + "target": "InterPro:IPR001418" + }, + { + "key": "increases abundance of", + "source": "InterPro:IPR001418", + "target": "CHEBI:16480" + }, + { + "key": "negatively regulates", + "source": "CHEBI:16480", + "target": "GO:0120054" + }, + { + "key": "decreases activity of", + "source": "InterPro:IPR001418", + "target": "GO:0035483" + }, + { + "key": "decreases activity of", + "source": "InterPro:IPR001418", + "target": "GO:0030432" + }, + { + "key": "increases activity of", + "source": "GO:0035483", + "target": "GO:0120054" + }, + { + "key": "increases activity of", + "source": "GO:0030432", + "target": "GO:0120054" + }, + { + "key": "negatively correlated with", + "source": "GO:0120054", + "target": "MONDO:0002203" + }, + { + "key": "negatively correlated with", + "source": "MONDO:0002203", + "target": "MONDO:0001673" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009020", + "label": "Drug", + "name": "morphine" + }, + { + "id": "InterPro:IPR001418", + "label": "GeneFamily", + "name": "Opioid receptor" + }, + { + "id": "GO:0030432", + "label": "BiologicalProcess", + "name": "peristalsis" + }, + { + "id": "GO:0035483", + "label": "BiologicalProcess", + "name": "gastric emptying" + }, + { + "id": "CHEBI:16480", + "label": "ChemicalSubstance", + "name": "nitric oxide" + }, + { + "id": "GO:0120054", + "label": "BiologicalProcess", + "name": "intestinal motility" + }, + { + "id": "HP:0002019", + "label": "PhenotypicFeature", + "name": "Constipation" + }, + { + "id": "MESH:D003967", + "label": "Disease", + "name": "Diarrhea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00295#mechanism-of-action", + "https://en.wikipedia.org/wiki/Analgesic#Opioids", + "https://en.wikipedia.org/wiki/Morphine#Constipation" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00295_MESH_D010146_1", + "disease": "Pain", + "disease_mesh": "HP:0012531", + "drug": "morphine", + "drug_mesh": "CHEBI:17303", + "drugbank": "DB:DB00295" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:17303", + "target": "InterPro:IPR001418" + }, + { + "key": "decreases activity of", + "source": "InterPro:IPR001418", + "target": "GO:0019233" + }, + { + "key": "regulates", + "source": "GO:0019233", + "target": "HP:0012531" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009020", + "label": "Drug", + "name": "morphine" + }, + { + "id": "InterPro:IPR001418", + "label": "GeneFamily", + "name": "Opioid receptor" + }, + { + "id": "GO:0019233", + "label": "BiologicalProcess", + "name": "sensory perception of pain" + }, + { + "id": "MESH:D010146", + "label": "Disease", + "name": "Pain" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00295#mechanism-of-action", + "https://en.wikipedia.org/wiki/Analgesic#Opioids" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00295_MESH_D059350_1", + "disease": "Chronic pain", + "disease_mesh": "HP:0012532", + "drug": "morphine", + "drug_mesh": "CHEBI:17303", + "drugbank": "DB:DB00295" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:17303", + "target": "InterPro:IPR001418" + }, + { + "key": "decreases activity of", + "source": "InterPro:IPR001418", + "target": "GO:0019233" + }, + { + "key": "regulates", + "source": "GO:0019233", + "target": "HP:0012532" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009020", + "label": "Drug", + "name": "morphine" + }, + { + "id": "InterPro:IPR001418", + "label": "GeneFamily", + "name": "Opioid receptor" + }, + { + "id": "GO:0019233", + "label": "BiologicalProcess", + "name": "sensory perception of pain" + }, + { + "id": "MESH:D059350", + "label": "Disease", + "name": "Chronic pain" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00295#mechanism-of-action", + "https://en.wikipedia.org/wiki/Analgesic#Opioids", + "https://en.wikipedia.org/wiki/Chronic_pain#Opioids" + ] + }, + { + "comments": "Etidronate is a weak inhibitor of proton transport in animal models (https://pubmed.ncbi.nlm.nih.gov/8889850/).", + "directed": true, + "graph": { + "_id": "DB01077_MESH_C562390_1", + "disease": "Humoral Hypercalcemia Of Malignancy", + "disease_mesh": "MONDO:0043455", + "drug": "etidronic acid", + "drug_mesh": "CHEBI:4907", + "drugbank": "DB:DB01077" + }, + "links": [ + { + "key": "negatively correlated with", + "source": "CHEBI:4907", + "target": "GO:0140603" + }, + { + "key": "increases activity of", + "source": "GO:0140603", + "target": "CL:0000092" + }, + { + "key": "negatively regulates", + "source": "CHEBI:4907", + "target": "UniProt:P38606" + }, + { + "key": "positively regulates", + "source": "UniProt:P38606", + "target": "GO:1902600" + }, + { + "key": "positively correlated with", + "source": "GO:1902600", + "target": "GO:0045453" + }, + { + "key": "positively regulates", + "source": "CHEBI:4907", + "target": "GO:0006915" + }, + { + "key": "decreases abundance of", + "source": "GO:0006915", + "target": "CL:0000092" + }, + { + "key": "positively regulates", + "source": "CL:0000092", + "target": "GO:0045453" + }, + { + "key": "positively correlated with", + "source": "GO:0045453", + "target": "MONDO:0043455" + }, + { + "key": "molecularly interacts with", + "source": "CHEBI:4907", + "target": "CHEBI:52255" + }, + { + "key": "positively correlated with", + "source": "CHEBI:52255", + "target": "GO:0001503" + }, + { + "key": "positively correlated with", + "source": "CHEBI:52255", + "target": "GO:1990523" + }, + { + "key": "negatively correlated with", + "source": "GO:1990523", + "target": "MONDO:0043455" + }, + { + "key": "negatively correlated with", + "source": "GO:0001503", + "target": "MONDO:0043455" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D012968", + "label": "Drug", + "name": "etidronic acid" + }, + { + "id": "GO:0140603", + "label": "MolecularActivity", + "name": "ATP hydrolysis activity" + }, + { + "id": "UniProt:P38606", + "label": "Protein", + "name": "V-type proton ATPase catalytic subunit A" + }, + { + "id": "GO:1902600", + "label": "BiologicalProcess", + "name": "proton transmembrane transport" + }, + { + "id": "CHEBI:52255", + "label": "ChemicalSubstance", + "name": "hydroxylapatite" + }, + { + "id": "CL:0000092", + "label": "Cell", + "name": "osteoclast" + }, + { + "id": "GO:0045453", + "label": "BiologicalProcess", + "name": "bone resorption" + }, + { + "id": "GO:0006915", + "label": "BiologicalProcess", + "name": "apoptotic process" + }, + { + "id": "GO:0001503", + "label": "BiologicalProcess", + "name": "ossification" + }, + { + "id": "GO:1990523", + "label": "BiologicalProcess", + "name": "bone regeneration" + }, + { + "id": "MESH:C562390", + "label": "Disease", + "name": "Humoral Hypercalcemia Of Malignancy" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01077#mechanism-of-action", + "https://drugs.ncats.io/drug/M2F465ROXU", + "https://www.caymanchem.com/product/20769/etidronate-(sodium-salt)", + "https://en.wikipedia.org/wiki/Etidronic_acid#Medical" + ] + }, + { + "comment": "Etidronate is a weak inhibitor of proton transport in animal models (https://pubmed.ncbi.nlm.nih.gov/8889850/).", + "directed": true, + "graph": { + "_id": "DB01077_MESH_D010001_1", + "disease": "Osteitis deformans", + "disease_mesh": "MONDO:0005382", + "drug": "etidronic acid", + "drug_mesh": "CHEBI:4907", + "drugbank": "DB:DB01077" + }, + "links": [ + { + "key": "negatively correlated with", + "source": "CHEBI:4907", + "target": "GO:0140603" + }, + { + "key": "increases activity of", + "source": "GO:0140603", + "target": "CL:0000092" + }, + { + "key": "negatively regulates", + "source": "CHEBI:4907", + "target": "UniProt:P38606" + }, + { + "key": "positively regulates", + "source": "UniProt:P38606", + "target": "GO:1902600" + }, + { + "key": "positively correlated with", + "source": "GO:1902600", + "target": "GO:0045453" + }, + { + "key": "positively regulates", + "source": "CHEBI:4907", + "target": "GO:0006915" + }, + { + "key": "decreases abundance of", + "source": "GO:0006915", + "target": "CL:0000092" + }, + { + "key": "positively regulates", + "source": "CL:0000092", + "target": "GO:0045453" + }, + { + "key": "positively correlated with", + "source": "GO:0045453", + "target": "MONDO:0005382" + }, + { + "key": "molecularly interacts with", + "source": "CHEBI:4907", + "target": "CHEBI:52255" + }, + { + "key": "positively correlated with", + "source": "CHEBI:52255", + "target": "GO:0001503" + }, + { + "key": "positively correlated with", + "source": "CHEBI:52255", + "target": "GO:1990523" + }, + { + "key": "negatively correlated with", + "source": "GO:1990523", + "target": "MONDO:0005382" + }, + { + "key": "negatively correlated with", + "source": "GO:0001503", + "target": "MONDO:0005382" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D012968", + 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+ "https://go.drugbank.com/drugs/DB01077#mechanism-of-action", + "https://drugs.ncats.io/drug/M2F465ROXU", + "https://www.caymanchem.com/product/20769/etidronate-(sodium-salt)", + "https://en.wikipedia.org/wiki/Etidronic_acid#Medical" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01077_MESH_D009999_1", + "disease": "Heterotopic ossification", + "disease_mesh": "HP:0011986", + "drug": "etidronic acid", + "drug_mesh": "CHEBI:4907", + "drugbank": "DB:DB01077" + }, + "links": [ + { + "key": "prevents", + "source": "CHEBI:4907", + "target": "GO:0001503" + }, + { + "key": "correlated with", + "source": "GO:0001503", + "target": "HP:0011849" + }, + { + "key": "manifestation of", + "source": "HP:0011849", + "target": "HP:0011986" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D012968", + "label": "Drug", + "name": "etidronic acid" + }, + { + "id": "GO:0001503", + "label": "BiologicalProcess", + "name": "ossification" + }, + { + "id": "HP:0011849", + "label": "PhenotypicFeature", + "name": "Abnormal bone ossification" + }, + { + "id": "MESH:D009999", + "label": "Disease", + "name": "Heterotopic ossification" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Etidronic_acid#Medical" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00384_MESH_D004487_1", + "disease": "Edema", + "disease_mesh": "HP:0000969", + "drug": "triamterene", + "drug_mesh": "CHEBI:9671", + "drugbank": "DB:DB00384" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:9671", + "target": "Pfam:PF00858" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00858", + "target": "GO:0070294" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": "GO:0003092", + "target": "HP:0000969" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014223", + "label": "Drug", + "name": "triamterene" + }, + { + "id": "Pfam:PF00858", + "label": "GeneFamily", + "name": "Amiloride-sensitive sodium channel" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "renal sodium ion absorption" + }, + { + "id": "GO:0003092", + "label": "BiologicalProcess", + "name": "renal water retention" + }, + { + "id": "MESH:D004487", + "label": "Disease", + "name": "Edema" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Triamterene#Mechanism_of_action", + "https://go.drugbank.com/drugs/DB00384" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00384_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MONDO:0005044", + "drug": "triamterene", + "drug_mesh": "CHEBI:9671", + "drugbank": "DB:DB00384" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:9671", + "target": "Pfam:PF00858" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00858", + "target": "GO:0070294" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": "GO:0003092", + "target": "HP:0011105" + }, + { + "key": "positively correlated with", + "source": "HP:0011105", + "target": "MONDO:0005044" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014223", + "label": "Drug", + "name": "triamterene" + }, + { + "id": "Pfam:PF00858", + "label": "GeneFamily", + "name": "Amiloride-sensitive sodium channel" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "renal sodium ion absorption" + }, + { + "id": "GO:0003092", + "label": "BiologicalProcess", + "name": "renal water retention" + }, + { + "id": "HP:0011105", + "label": "PhenotypicFeature", + "name": "Hypervolemia" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Triamterene#Mechanism_of_action", + "https://go.drugbank.com/drugs/DB00384", + "https://pubmed.ncbi.nlm.nih.gov/25616035/", + "https://www.heighpubs.org/hjch/ach-aid1011.php" + ] + }, + { + "commments": "Antagonism of beta-2-adrenergic receptors may lead to some of the side effects of labetalol (e.g. bronchospasms); however this may be slightly attenuated by alpha-1-adrenergic antagonism (https://pubmed.ncbi.nlm.nih.gov/6354658/).", + "directed": true, + "graph": { + "_id": "DB00598_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MONDO:0005044", + "drug": "labetalol", + "drug_mesh": "CHEBI:167638", + "drugbank": "DB:DB00598" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:167638", + "target": "UniProt:P08588" + }, + { + "key": "negatively regulates", + "source": "CHEBI:167638", + "target": "UniProt:P07550" + }, + { + "key": "negatively regulates", + "source": "CHEBI:167638", + "target": "UniProt:P35348" + }, + { + "key": "negatively regulates", + "source": "CHEBI:167638", + "target": "UniProt:P35368" + }, + { + "key": "negatively regulates", + "source": "CHEBI:167638", + "target": "UniProt:P25100" + }, + { + "key": "participates in", + "source": "UniProt:P08588", + "target": "reactome:R-HSA-418555" + }, + { + "key": "participates in", + "source": "UniProt:P07550", + "target": "reactome:R-HSA-418555" + }, + { + "key": "participates in", + "source": "UniProt:P35348", + "target": "reactome:R-HSA-416476" + }, + { + "key": "participates in", + "source": "UniProt:P35368", + "target": "reactome:R-HSA-416476" + }, + { + "key": "participates in", + "source": "UniProt:P25100", + "target": "reactome:R-HSA-416476" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-418555", + "target": "GO:0060047" + }, + { + "key": "positively correlated with", + "source": "reactome:R-HSA-416476", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0060047", + "target": "HP:0032263" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0032263" + }, + { + "key": "manifestation of", + "source": "HP:0032263", + "target": "MONDO:0005044" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007741", + "label": "Drug", + "name": "labetalol" + }, + { + "id": "UniProt:P08588", + "label": "Protein", + "name": "Beta-1 adrenergic receptor" + }, + { + "id": "UniProt:P07550", + "label": "Protein", + "name": "Beta-2 adrenergic receptor" + }, + { + "id": "UniProt:P35348", + "label": "Protein", + "name": "Alpha-1A adrenergic receptor" + }, + { + "id": "UniProt:P35368", + "label": "Protein", + "name": "Alpha-1B adrenergic receptor" + }, + { + "id": "UniProt:P25100", + "label": "Protein", + "name": "Alpha-1D adrenergic receptor" + }, + { + "id": "reactome:R-HSA-418555", + "label": "Pathway", + "name": "G alpha (s) signalling events" + }, + { + "id": "reactome:R-HSA-416476", + "label": "Pathway", + "name": "G alpha (q) signalling events" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": 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It's been suggested that disulfiram itself is unlikely responsible for the enzyme inactivation in vivo; several active metabolites of the drug, especially diethylthiomethylcarbamate, inhibits the enzyme in vitro (https://pubchem.ncbi.nlm.nih.gov/compound/3117#section=Mechanism-of-Action).", + "directed": true, + "graph": { + "_id": "DB00822_MESH_D000437_1", + "disease": "Alcoholism", + "disease_mesh": "MONDO:0002046", + "drug": "disulfiram", + "drug_mesh": "CHEBI:4659", + "drugbank": "DB:DB00822" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:4659", + "target": "UniProt:P05091" + }, + { + "key": "positively regulates", + "source": "UniProt:P05091", + "target": "GO:0006069" + }, + { + "key": "decreases abundance of", + "source": "GO:0006069", + "target": "CHEBI:15343" + }, + { + "key": "positively correlated with", + "source": "CHEBI:15343", + "target": "HP:0002017" + }, + { + "key": "positively correlated with", + "source": "CHEBI:15343", + "target": "HP:0002098" + }, + { + "key": "positively correlated with", + "source": "CHEBI:15343", + "target": "HP:0001033" + }, + { + "key": "positively correlated with", + "source": "CHEBI:15343", + "target": "HP:0002098" + }, + { + "key": "positively correlated with", + "source": "CHEBI:15343", + "target": "HP:0002017" + }, + { + "key": "negatively correlated with", + "source": "HP:0001033", + "target": "MONDO:0002046" + }, + { + "key": "negatively correlated with", + "source": "HP:0002098", + "target": "MONDO:0002046" + }, + { + "key": "negatively correlated with", + "source": "HP:0002017", + "target": "MONDO:0002046" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004221", + "label": "Drug", + "name": "disulfiram" + }, + { + "id": "UniProt:P05091", + "label": "Protein", + "name": "Aldehyde dehydrogenase, mitochondrial" + }, + { + "id": "CHEBI:15343", + "label": "ChemicalSubstance", + "name": "acetaldehyde" + }, + { + "id": "GO:0006069", + "label": "BiologicalProcess", + "name": "ethanol oxidation" + }, + { + "id": "HP:0001033", + "label": "PhenotypicFeature", + "name": "Facial flushing after alcohol intake" + }, + { + "id": "HP:0002098", + "label": "PhenotypicFeature", + "name": "Respiratory distress" + }, + { + "id": "HP:0002017", + "label": "PhenotypicFeature", + "name": "Nausea and vomiting" + }, + { + "id": "MESH:D000437", + "label": "Disease", + "name": "Alcoholism" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL964/", + "https://en.wikipedia.org/wiki/Disulfiram", + "https://en.wikipedia.org/wiki/Acetaldehyde#Aggravating_factors" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06637_MESH_D009103_1", + "disease": "Multiple sclerosis", + "disease_mesh": "MONDO:0005301", + "drug": "fampridine", + "drug_mesh": "CHEBI:34385", + "drugbank": "DB:DB06637" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:34385", + "target": "InterPro:IPR028325" + }, + { + "key": "negatively 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"label": "BiologicalProcess", + "name": "neuronal action potential propagation" + }, + { + "id": "GO:0019226", + "label": "BiologicalProcess", + "name": "transmission of nerve impulse" + }, + { + "id": "HP:0002355", + "label": "PhenotypicFeature", + "name": "Difficulty walking" + }, + { + "id": "MESH:D009103", + "label": "Disease", + "name": "Multiple sclerosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06637", + "https://en.wikipedia.org/wiki/4-Aminopyridine#Multiple_sclerosis" + ] + }, + { + "comments": "The disease is denoted as Malignant tumor of testis in the original file as per DrugCentral.", + "directed": true, + "graph": { + "_id": "DB06810_MESH_D013736_1", + "disease": "Testicular Neoplasms", + "disease_mesh": "MONDO:0005447", + "drug": "plicamycin", + "drug_mesh": "CHEBI:31856", + "drugbank": "DB:DB06810" + }, + "links": [ + { + "key": "disrupts", + "source": "CHEBI:31856", + "target": "GO:0000785" + }, + { + "key": "correlated with", + "source": "GO:0000785", + "target": "GO:0032774" + }, + { + "key": "positively correlated with", + "source": "GO:0032774", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "HP:0031377" + }, + { + "key": "positively correlated with", + "source": "HP:0031377", + "target": "MONDO:0005447" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C066851" + ], + "id": "MESH:D008926", + "label": "Drug", + "name": "plicamycin" + }, + { + "id": "GO:0000785", + "label": "CellularComponent", + "name": "chromatin" + }, + { + "id": "GO:0032774", + "label": "BiologicalProcess", + "name": "RNA biosynthetic process" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "HP:0031377", + "label": "PhenotypicFeature", + "name": "Abnormal cell proliferation" + }, + { + "id": "MESH:D013736", + "label": "Disease", + "name": "Testicular Neoplasms" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06810", + "https://en.wikipedia.org/wiki/Plicamycin" + ] + }, + { + "comments": "The disease is denoted as Pityriasis versicolor in the original file as per DrugCentral.", + "directed": true, + "graph": { + "_id": "DB00239_MESH_D014010_1", + "disease": "Tinea Versicolor", + "disease_mesh": "MONDO:0005915", + "drug": "oxiconazole", + "drug_mesh": "CHEBI:7825", + "drugbank": "DB:DB00239" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:7825", + "target": "UniProt:P10613" + }, + { + "key": "positively regulates", + "source": "UniProt:P10613", + "target": "GO:0006696" + }, + { + "key": "produces", + "source": "GO:0006696", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "in taxon", + "source": "GO:0030445", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MONDO:0005915" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C022155", + "label": "Drug", + "name": "oxiconazole" + }, + { + "id": "UniProt:P10613", + "label": "Protein", + "name": "Lanosterol 14-alpha demethylase" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D014010", + "label": "Disease", + "name": "Tinea Versicolor" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00239", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacology" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00239_MESH_D014008_1", + "disease": "Tinea pedis", + "disease_mesh": "MONDO:0005984", + "drug": "oxiconazole", + "drug_mesh": "CHEBI:7825", + "drugbank": "DB:DB00239" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:7825", + "target": "UniProt:P10613" + }, + { + "key": "positively regulates", + "source": "UniProt:P10613", + "target": "GO:0006696" + }, + { + "key": "produces", + "source": "GO:0006696", + "target": "CHEBI:16933" + }, + { + "key": "located in", + "source": "CHEBI:16933", + "target": "GO:0030445" + }, + { + "key": "in taxon", + "source": "GO:0030445", + "target": "taxonomy:237561" + }, + { + "key": "causes", + "source": "taxonomy:237561", + "target": "MONDO:0005984" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C022155", + "label": "Drug", + "name": "oxiconazole" + }, + { + "id": "UniProt:P10613", + "label": "Protein", + "name": "Lanosterol 14-alpha demethylase" + }, + { + "id": "GO:0006696", + "label": "BiologicalProcess", + "name": "ergosterol biosynthetic process" + }, + { + "id": "CHEBI:16933", + "label": "ChemicalSubstance", + "name": "ergosterol" + }, + { + "id": "GO:0030445", + "label": "CellularComponent", + "name": "yeast-form cell wall" + }, + { + "id": "taxonomy:237561", + "label": "OrganismTaxon", + "name": "Candida albicans SC5314" + }, + { + "id": "MESH:D014008", + "label": "Disease", + "name": "Tinea pedis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00239", + "https://en.wikipedia.org/wiki/Clotrimazole#Pharmacology" + ] + }, + { + "comment": "MESH:D003865 is denoted as Depressive Disorder, Major in the MESH website. Note that the drug may slighlty inhibit the reuptake of serotonin too.", + "directed": true, + "graph": { + "_id": "DB00234_MESH_D003865_1", + "disease": "Major depressive disorder", + "disease_mesh": "MONDO:0002009", + "drug": "reboxetine", + "drug_mesh": "MESH:C074679", + "drugbank": "DB:DB00234" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C074679", + "target": "UniProt:P23975" + }, + { + "key": "positively regulates", + "source": "UniProt:P23975", + "target": "GO:0051620" + }, + { + "key": "positively correlated with", + "source": "GO:0051620", + "target": "MONDO:0002009" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C074679", + "label": "Drug", + "name": "reboxetine" + }, + { + "id": "UniProt:P23975", + "label": "Protein", + "name": "Sodium-dependent noradrenaline transporter" + }, + { + "id": "GO:0051620", + "label": "BiologicalProcess", + "name": "norepinephrine uptake" + }, + { + "id": "MESH:D003865", + "label": "Disease", + "name": 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"MESH:D011015", + "label": "Disease", + "name": "Aspiration pneumonia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00948" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00948_MESH_D016868_1", + "disease": "Bacterial infection due to Serratia", + "disease_mesh": "UMLS:C0085394", + "drug": "mezlocillin", + "drug_mesh": "CHEBI:6919", + "drugbank": "DB:DB00948" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:6919", + "target": "Pfam:PF00905" + }, + { + "key": "positively regulates", + "source": "Pfam:PF00905", + "target": "GO:0009252" + }, + { + "key": "positively correlated with", + "source": "GO:0009252", + "target": "GO:0009273" + }, + { + "key": "in taxon", + "source": "GO:0009273", + "target": "taxonomy:613" + }, + { + "key": "causes", + "source": "taxonomy:613", + "target": "UMLS:C0085394" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008802", + "label": "Drug", + "name": "mezlocillin" + }, + { + "id": 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"https://go.drugbank.com/drugs/DB00948" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01194_MESH_D009798_1", + "disease": "Ocular Hypertension", + "disease_mesh": "MONDO:0006875", + "drug": "brinzolamide", + "drug_mesh": "CHEBI:3176", + "drugbank": "DB:DB01194" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:3176", + "target": "UniProt:P00918" + }, + { + "key": "positively regulates", + "source": "UniProt:P00918", + "target": "GO:0015701" + }, + { + "key": "increases abundance of", + "source": "GO:0015701", + "target": "UBERON:0001796" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001796", + "target": "MONDO:0006875" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C111827", + "label": "Drug", + "name": "brinzolamide" + }, + { + "id": "UniProt:P00918", + "label": "Protein", + "name": "Carbonic anhydrase 2" + }, + { + "id": "GO:0015701", + "label": "BiologicalProcess", + "name": "bicarbonate transport" + }, + { + "id": "UBERON:0001796", + "label": "GrossAnatomicalStructure", + "name": "aqueous humor of eyeball" + }, + { + "id": "MESH:D009798", + "label": "Disease", + "name": "Ocular Hypertension" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01194#mechanism-of-action", + "https://en.wikipedia.org/wiki/Brinzolamide", + "https://www.uniprot.org/uniprot/P00918#function", + "https://en.wikipedia.org/wiki/Ocular_hypertension" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01194_MESH_D005902_1", + "disease": "Glaucoma, Open-Angle", + "disease_mesh": "MONDO:0005338", + "drug": "brinzolamide", + "drug_mesh": "CHEBI:3176", + "drugbank": "DB:DB01194" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:3176", + "target": "UniProt:P00918" + }, + { + "key": "positively regulates", + "source": "UniProt:P00918", + "target": "GO:0015701" + }, + { + "key": "increases abundance of", + "source": "GO:0015701", + "target": "UBERON:0001796" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001796", + "target": "HP:0007906" + }, + { + "key": "manifestation of", + "source": "HP:0007906", + "target": "MONDO:0005338" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C111827", + "label": "Drug", + "name": "brinzolamide" + }, + { + "id": "UniProt:P00918", + "label": "Protein", + "name": "Carbonic anhydrase 2" + }, + { + "id": "GO:0015701", + "label": "BiologicalProcess", + "name": "bicarbonate transport" + }, + { + "id": "UBERON:0001796", + "label": "GrossAnatomicalStructure", + "name": "aqueous humor of eyeball" + }, + { + "id": "HP:0007906", + "label": "PhenotypicFeature", + "name": "Ocular hypertension" + }, + { + "id": "MESH:D005902", + "label": "Disease", + "name": "Glaucoma, Open-Angle" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01194#mechanism-of-action", + "https://en.wikipedia.org/wiki/Brinzolamide", + "https://www.uniprot.org/uniprot/P00918#function", + "https://en.wikipedia.org/wiki/Ocular_hypertension", + "https://en.wikipedia.org/wiki/Glaucoma" + ] + }, + { + "comment": "The disease is known as Chagas Disease in MESH (MESH:D014355). The drug is metabolized by nitoreductases (https://www.accessdata.fda.gov/drugsatfda_docs/label/2020/213464s000lbl.pdf) rather than nitoreductases being the target of this drug (https://go.drugbank.com/drugs/DB11820#BE0010011).", + "directed": true, + "graph": { + "_id": "DB11820_MESH_D014355_1", + "disease": "Infection by Trypanosoma cruzi", + "disease_mesh": "MONDO:0001444", + "drug": "nifurtimox", + "drug_mesh": "CHEBI:7566", + "drugbank": "DB:DB11820" + }, + "links": [ + { + "key": "produces", + "source": "CHEBI:7566", + "target": "CHEBI:26523" + }, + { + "key": "disrupts", + "source": "CHEBI:26523", + "target": "CHEBI:16991" + }, + { + "key": "in taxon", + "source": "CHEBI:16991", + "target": "taxonomy:5693" + }, + { + "key": "causes", + "source": "taxonomy:5693", + "target": "MONDO:0001444" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009547", + "label": "Drug", + "name": "nifurtimox" + }, + { + "id": "CHEBI:26523", + "label": "ChemicalSubstance", + "name": "reactive oxygen species" + }, + { + "id": "CHEBI:16991", + "label": "ChemicalSubstance", + "name": "deoxyribonucleic acid" + }, + { + "id": "taxonomy:5693", + "label": "OrganismTaxon", + "name": "Trypanosoma cruzi" + }, + { + "id": "MESH:D014355", + "label": "Disease", + "name": "Infection by Trypanosoma cruzi" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Nifurtimox#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL290960/" + ] + }, + { + "comment": "Withdrawn from the market in many countries. Never been marketed in the US.", + "directed": true, + "graph": { + "_id": "DB04830_MESH_D003924_1", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MONDO:0005148", + "drug": "buformin", + "drug_mesh": "CHEBI:3209", + "drugbank": "DB:DB04830" + }, + "links": [ + { + "key": "negatively correlated with", + "source": "CHEBI:3209", + "target": "GO:0001951" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:3209", + "target": "GO:0006094" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:3209", + "target": "HP:0008189" + }, + { + "key": "increases activity of", + "source": "CHEBI:3209", + "target": "GO:0046323" + }, + { + "key": "positively correlated with", + "source": "GO:0001951", + "target": "MONDO:0002909" + }, + { + "key": "positively correlated with", + "source": "GO:0006094", + "target": "MONDO:0002909" + }, + { + "key": "positively correlated with", + "source": "HP:0008189", + "target": "MONDO:0002909" + }, + { + "key": "negatively 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"DB00973_MESH_C537345_1", + "disease": "Sitosterolemia", + "disease_mesh": "MONDO:0008863", + "drug": "ezetimibe", + "drug_mesh": "CHEBI:49040", + "drugbank": "DB:DB00973" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:49040", + "target": "UniProt:Q9UHC9" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9UHC9", + "target": "GO:0098856" + }, + { + "key": "increases abundance of", + "source": "GO:0098856", + "target": "CHEBI:26125" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26125", + "target": "HP:0033341" + }, + { + "key": "manifestation of", + "source": "HP:0033341", + "target": "MONDO:0008863" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069438", + "label": "Drug", + "name": "ezetimibe" + }, + { + "id": "UniProt:Q9UHC9", + "label": "Protein", + "name": "NPC1-like intracellular cholesterol transporter 1" + }, + { + "id": "GO:0098856", + "label": "BiologicalProcess", + "name": "intestinal lipid absorption" + }, + { + "id": "CHEBI:26125", + "label": "ChemicalSubstance", + "name": "phytosterols" + }, + { + "id": "HP:0033341", + "label": "PhenotypicFeature", + "name": "Elevated circulating sitosterol concentration" + }, + { + "id": "MESH:C537345", + "label": "Disease", + "name": "Sitosterolemia" + } + ], + "reference": [ + "https://pharos.nih.gov/ligands/ezetimibe", + "https://pubchem.ncbi.nlm.nih.gov/compound/150311#section=Mechanism-of-Action", + "https://en.wikipedia.org/wiki/Sitosterolemia#Signs_and_symptoms" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00973_MESH_D006949_1", + "disease": "Hyperlipidemia", + "disease_mesh": "MONDO:0021187", + "drug": "ezetimibe", + "drug_mesh": "CHEBI:49040", + "drugbank": "DB:DB00973" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:49040", + "target": "UniProt:Q9UHC9" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9UHC9", + "target": "GO:0098856" + }, + { + "key": "increases abundance 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hyperlipidemia", + "disease_mesh": "MONDO:0007759", + "drug": "ezetimibe", + "drug_mesh": "CHEBI:49040", + "drugbank": "DB:DB00973" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:49040", + "target": "UniProt:Q9UHC9" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9UHC9", + "target": "GO:0098856" + }, + { + "key": "increases abundance of", + "source": "GO:0098856", + "target": "CHEBI:16113" + }, + { + "key": "increases abundance of", + "source": "GO:0098856", + "target": "CHEBI:17855" + }, + { + "key": "positively correlated with", + "source": "CHEBI:17855", + "target": "MONDO:0007759" + }, + { + "key": "positively correlated with", + "source": "CHEBI:16113", + "target": "MONDO:0007759" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000069438", + "label": "Drug", + "name": "ezetimibe" + }, + { + "id": "UniProt:Q9UHC9", + "label": "Protein", + "name": "NPC1-like intracellular cholesterol transporter 1" + }, + { + "id": "GO:0098856", + "label": "BiologicalProcess", + "name": "intestinal lipid absorption" + }, + { + "id": "CHEBI:16113", + "label": "ChemicalSubstance", + "name": "cholesterol" + }, + { + "id": "CHEBI:17855", + "label": "ChemicalSubstance", + "name": "triglyceride" + }, + { + "id": "MESH:D006950", + "label": "Disease", + "name": "Mixed hyperlipidemia" + } + ], + "reference": [ + "https://pharos.nih.gov/ligands/ezetimibe", + "https://pubchem.ncbi.nlm.nih.gov/compound/150311#section=Mechanism-of-Action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00973_MESH_D006937_1", + "disease": "Hypercholesterolemia", + "disease_mesh": "HP:0003124", + "drug": "ezetimibe", + "drug_mesh": "CHEBI:49040", + "drugbank": "DB:DB00973" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:49040", + "target": "UniProt:Q9UHC9" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9UHC9", + "target": "GO:0098856" + }, + { + "key": "increases abundance of", + "source": 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Also if used in combination with clinidium (DB:DB00771, brand name Librax), it will inhibit acid secretion (antisecretory effect) and will be beneficial for treating ulcers (https://go.drugbank.com/unearth/q?utf8=%E2%9C%93&searcher=drugs&query=Librax).", + "directed": true, + "graph": { + "_id": "DB00973_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MONDO:0004247", + "drug": "chlordiazepoxide", + "drug_mesh": "CHEBI:3611", + "drugbank": "DB:DB00973" + }, + "links": [ + { + "key": "negatively correlated with", + "source": "CHEBI:3611", + "target": "GO:0001696" + }, + { + "key": "positively correlated with", + "source": "GO:0001696", + "target": "MONDO:0004247" + }, + { + "key": "increases activity of", + "source": "CHEBI:3611", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "positively correlated with", + "source": "GO:0022851", + "target": "GO:0060081" + }, + { + "key": "negatively correlated with", + "source": "GO:0060081", + "target": "GO:0007269" + }, + { + "key": "positively correlated with", + "source": "GO:0007269", + "target": "HP:0100852" + }, + { + "key": "affects risk for", + "source": "HP:0100852", + "target": "MONDO:0004247" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002707", + "label": "Drug", + "name": "chlordiazepoxide" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "GO:0022851", + "label": "BiologicalProcess", + "name": "GABA-gated chloride ion channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0007269", + "label": "BiologicalProcess", + "name": "neurotransmitter secretion" + }, + { + "id": "GO:0001696", + "label": "BiologicalProcess", + "name": "gastric acid secretion" + }, + { + "id": "HP:0100852", + "label": "PhenotypicFeature", + "name": "Abnormal fear/anxiety-related behavior" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00475", + "https://en.wikipedia.org/wiki/Chlordiazepoxide/clidinium_bromide" + ] + }, + { + "comments": "The drug when in combination with clinidium (DB:DB00771, brand name Librax, https://go.drugbank.com/unearth/q?utf8=%E2%9C%93&searcher=drugs&query=Librax) helps to relieve stomach spasms and abdominal cramps, some of the symptoms of irritable bowel syndrome. 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}, + { + "key": "positively regulates", + "source": "UniProt:P00533", + "target": "reactome:R-HSA-109704" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-5673001", + "target": "GO:0008283" + }, + { + "key": "positively regulates", + "source": "reactome:R-HSA-109704", + "target": "GO:0008283" + }, + { + "key": "causes", + "source": "GO:0008283", + "target": "MONDO:0005233" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C419708", + "label": "Drug", + "name": "Gefitinib" + }, + { + "id": "UniProt:P00533", + "label": "Protein", + "name": "Epidermal growth factor receptor" + }, + { + "id": "reactome:R-HSA-5673001", + "label": "Pathway", + "name": "RAF/MAP kinase cascade" + }, + { + "id": "reactome:R-HSA-109704", + "label": "Pathway", + "name": "PI3K Cascade" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "Cell proliferation" + }, + { + "id": "MESH:D002289", + "label": "Disease", + "name": "Non-small cell lung cancer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00317" + ] + }, + { + "comment": "Lisuride is used to prevent migraine attacks in low doses. Due to its highly non-selective pharmacological activity, lisuride is described as a \"dirty drug\". The exact mechanism of action of lisuride is not clear however it is likely due to agonism of 5-HT1B/1D receptors.", + "directed": true, + "graph": { + "_id": "DB00589_MESH_D008881_1", + "disease": "Migraine", + "disease_mesh": "MONDO:0005277", + "drug": "Lisuride", + "drug_mesh": "CHEBI:51164", + "drugbank": "DB:DB00589" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:51164", + "target": "UniProt:P28222" + }, + { + "key": "positively regulates", + "source": "CHEBI:51164", + "target": "UniProt:P28221" + }, + { + "key": "positively regulates", + "source": "UniProt:P28222", + "target": "GO:0004993" + }, + { + "key": "positively regulates", + "source": "UniProt:P28221", + "target": "GO:0004993" + }, + { + "key": "positively correlated with", + "source": "GO:0004993", + "target": "GO:0042310" + }, + { + "key": "negatively correlated with", + "source": "GO:0042310", + "target": "MONDO:0005277" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008090", 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"https://link.springer.com/article/10.1007/s11102-016-0778-2" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00876_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MONDO:0005044", + "drug": "Eprosartan", + "drug_mesh": "CHEBI:4814", + "drugbank": "DB:DB00876" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:4814", + "target": "UniProt:P30556" + }, + { + "key": "positively correlated with", + "source": "UniProt:P30556", + "target": "CHEBI:2719" + }, + { + "key": "positively regulates", + "source": "CHEBI:2719", + "target": "MESH:D014661" + }, + { + "key": "positively correlated with", + "source": "MESH:D014661", + "target": "HP:0032263" + }, + { + "key": "positively correlated with", + "source": "HP:0032263", + "target": "MONDO:0005044" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C068373", + "label": "Drug", + "name": "Eprosartan" + }, + { + "id": "UniProt:P30556", + "label": "Protein", + "name": "Type-1 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It has been reported that levosimendan may act preferentially as a Ca2+ sensitizer at lower concentrations.", + "directed": true, + "graph": { + "_id": "DB00922_MESH_D006333_1", + "disease": "Congestive heart failure", + "disease_mesh": "MONDO:0005252", + "drug": "levosimendan", + "drug_mesh": "MESH:C076731", + "drugbank": "DB:DB00922" + }, + "links": [ + { + "key": "increases stability of", + "source": "MESH:C076731", + "target": "UniProt:P63316" + }, + { + "key": "positively regulates", + "source": "UniProt:P63316", + "target": "GO:0060047" + }, + { + "key": "negatively correlated with", + "source": "GO:0060047", + "target": "MONDO:0005252" + }, + { + "key": "increases activity of", + "source": "MESH:C076731", + "target": "UniProt:Q14654" + }, + { + "key": "increases activity of", + "source": "MESH:C076731", + "target": "UniProt:Q15842" + }, + { + "key": "positively regulates", + "source": "UniProt:Q14654", + "target": "GO:0044557" + }, + { + "key": "positively regulates", + "source": "UniProt:Q15842", + "target": "GO:0044557" + }, + { + "key": "positively regulates", + "source": "GO:0044557", + "target": "GO:0042311" + }, + { + "key": "negatively correlated with", + "source": "GO:0042311", + "target": "MONDO:0005044" + }, + { + "key": "affects risk for", + "source": "MONDO:0005044", + "target": "MONDO:0005252" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C076731", + "label": "Drug", + "name": "Levosimendan" + }, + { + "id": "UniProt:P63316", + "label": "Protein", + "name": "Troponin C, slow skeletal and cardiac muscles" + }, + { + "id": "GO:0060047", + "label": "BiologicalProcess", + "name": "Heart contraction" + }, + { + "id": "UniProt:Q15842", + "label": "Protein", + "name": "ATP-sensitive inward rectifier potassium channel 8" + }, + { + "id": "UniProt:Q14654", + "label": "Protein", + "name": "ATP-sensitive inward rectifier potassium channel 11" + }, + { + "id": "GO:0044557", + "label": "BiologicalProcess", + "name": "Relaxation of smooth muscle" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "Vasodilation" + }, + { + "id": "HP:0000822", + "label": "PhenotypicFeature", + "name": "Hypertension" + }, + { + "id": "MESH:D006333", + "label": "Disease", + "name": "Congestive heart failure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00922" + ] + }, + { + "comment": "Levosimendan has not been approved for use in the U.S. or Canada. It has been reported that levosimendan may act preferentially as a Ca2+ sensitizer at lower concentrations, whereas at higher concentrations its action as a PDE-III inhibitor becomes more prominent in experimental animals and humans.", + "directed": true, + "graph": { + "_id": "DB00922_MESH_D006333_2", + "disease": "Congestive heart failure", + "disease_mesh": "MONDO:0005252", + "drug": "levosimendan", + "drug_mesh": "MESH:C076731", + "drugbank": "DB:DB00922" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C076731", + "target": "UniProt:Q14432" + }, + { + "key": "decreases abundance of", + "source": "UniProt:Q14432", + "target": "CHEBI:17489" + }, + { + "key": "positively regulates", + "source": "CHEBI:17489", + "target": "GO:0004679" + }, + { + "key": "positively regulates", + "source": "GO:0004679", + "target": "GO:0005262" + }, + { + "key": "positively regulates", + "source": "GO:0005262", + "target": "GO:0070509" + }, + { + "key": "positively regulates", + 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"negatively regulates", + "source": "DB:DB00796", + "target": "UniProt:P30556" + }, + { + "key": "positively correlated with", + "source": "UniProt:P30556", + "target": "CHEBI:2719" + }, + { + "key": "positively regulates", + "source": "CHEBI:2719", + "target": "MESH:D014661" + }, + { + "key": "positively correlated with", + "source": "MESH:D014661", + "target": "GO:0045777" + }, + { + "key": "positively correlated with", + "source": "GO:0045777", + "target": "MONDO:0005044" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB00796", + "label": "Drug", + "name": "Candesartan cilexetil" + }, + { + "id": "UniProt:P30556", + "label": "Protein", + "name": "Type-1 angiotensin II receptor" + }, + { + "id": "MESH:D000804", + "label": "ChemicalSubstance", + "name": "Angiotensin II" + }, + { + "id": "MESH:D014661", + "label": "Disease", + "name": "Vasoconstriction" + }, + { + "id": "GO:0045777", + "label": "BiologicalProcess", + "name": "Positive regulation of blood pressure" + }, + { 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"multigraph": true, + "nodes": [ + { + "id": "MESH:D000536", + "label": "Drug", + "name": "Aluminum Hydroxide" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric Acid" + }, + { + "id": "HP:0002020", + "label": "PhenotypicFeature", + "name": "Gastroesophageal reflux" + }, + { + "id": "MESH:D004415", + "label": "Disease", + "name": "Dyspepsia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06723#mechanism-of-action", + "https://en.wikipedia.org/wiki/Indigestion" + ] + }, + { + "comment": "Please note the entry term for a drug was algeldrate, however the proper name is aluminum hydroxide.", + "directed": true, + "graph": { + "_id": "DB06723_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MONDO:0004247", + "drug": "Aluminum hydroxide", + "drug_mesh": "PUBCHEM.COMPOUND:10176082", + "drugbank": "DB:DB06723" + }, + "links": [ + { + "key": "negatively regulates", + "source": "PUBCHEM.COMPOUND:10176082", + "target": "MESH:D005744" 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"DB06723_MESH_D013276_1", + "disease": "Gastric ulcer", + "disease_mesh": "MONDO:0001126", + "drug": "Aluminum hydroxide", + "drug_mesh": "PUBCHEM.COMPOUND:10176082", + "drugbank": "DB:DB06723" + }, + "links": [ + { + "key": "negatively regulates", + "source": "PUBCHEM.COMPOUND:10176082", + "target": "MESH:D005744" + }, + { + "key": "positively regulates", + "source": "MESH:D005744", + "target": "InterPro:IPR034162" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR034162", + "target": "MONDO:0001126" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000536", + "label": "Drug", + "name": "Aluminum hydroxide" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric Acid" + }, + { + "id": "InterPro:IPR034162", + "label": "GeneFamily", + "name": "Pepsin catalytic domain" + }, + { + "id": "MESH:D013276", + "label": "Disease", + "name": "Gastric ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06723" + ] + }, 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], + "reference": [ + "https://go.drugbank.com/drugs/DB00814" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00814_MESH_D001171_1", + "disease": "Juvenile rheumatoid arthritis", + "disease_mesh": "MONDO:0011429", + "drug": "Meloxicam", + "drug_mesh": "MESH:C065757", + "drugbank": "DB:DB00814" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C065757", + "target": "UniProt:P35354" + }, + { + "key": "participates in", + "source": "UniProt:P35354", + "target": "reactome:R-HSA-2162123" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-2162123", + "target": "CHEBI:26333" + }, + { + "key": "positively regulates", + "source": "CHEBI:26333", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "HP:0002829" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "HP:0001386" + }, + { + "key": "positively correlated with", + "source": "HP:0001386", + 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"https://go.drugbank.com/drugs/DB00814" + ] + }, + { + "comment": "Isoniazid is a prodrug and must be activated by a bacterial catalase-peroxidase enzyme in Mycobacterium tuberculosis.", + "directed": true, + "graph": { + "_id": "DB00951_MESH_D014397_1", + "disease": "Pulmonary tuberculosis", + "disease_mesh": "MONDO:0006052", + "drug": "isoniazid", + "drug_mesh": "CHEBI:6030", + "drugbank": "DB:DB00951" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:6030", + "target": "UniProt:P9WGR1" + }, + { + "key": "positively regulates", + "source": "UniProt:P9WGR1", + "target": "GO:0071768" + }, + { + "key": "increases abundance of", + "source": "GO:0071768", + "target": "CHEBI:25438" + }, + { + "key": "participates in", + "source": "CHEBI:25438", + "target": "GO:0071766" + }, + { + "key": "in taxon", + "source": "GO:0071766", + "target": "taxonomy:1773" + }, + { + "key": "causes", + "source": "taxonomy:1773", + "target": "MONDO:0006052" + } + ], + "multigraph": true, 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This graph was made for dimethyl fumarate. Dimethyl fumarate ia a prodrug which is metabolised into the pharmacologically active monomethyl fumarate.", + "directed": true, + "graph": { + "_id": "DB08908_MESH_D011565_1", + "disease": "Psoriasis", + "disease_mesh": "MONDO:0005083", + "drug": "Dimethyl fumarate", + "drug_mesh": "CHEBI:76004", + "drugbank": "DB:DB08908" + }, + "links": [ + { + "key": "negatively regulates", + "source": "DB:DB08908", + "target": "GO:0038061" + }, + { + "key": "positively regulates", + "source": "GO:0038061", + "target": "GO:0001816" + }, + { + "key": "positively correlated with", + "source": "GO:0001816", + "target": "GO:0006954" + }, + { + "key": "positively regulates", + "source": "DB:DB08908", + "target": "reactome:R-HSA-8932339" + }, + { + "key": "increases activity of", + "source": "reactome:R-HSA-8932339", + "target": "UniProt:P09601" + }, + { + "key": "negatively regulates", + "source": "UniProt:P09601", + "target": "GO:0006954" + }, + { + "key": "increases activity of", + "source": 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+ "name": "Vascular endothelial growth factor receptor 2" + }, + { + "id": "UniProt:P10721", + "label": "Protein", + "name": "Mast/stem cell growth factor receptor Kit" + }, + { + "id": "UniProt:P17252", + "label": "Protein", + "name": "Protein kinase C alpha type" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "GO:0001525", + "label": "BiologicalProcess", + "name": "angiogenesis" + }, + { + "id": "GO:0070662", + "label": "BiologicalProcess", + "name": "mast cell proliferation" + }, + { + "id": "reactome:R-HSA-9607240", + "label": "Pathway", + "name": "FLT3 Signaling" + }, + { + "id": "MESH:D007946", + "label": "Disease", + "name": "Mast cell leukemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06595" + ] + }, + { + "comment": "Although InterPro and Pfam have entries to encompass different types of calcium channels, the chosen MESH term is the most generic term that encompasses ALL calcium channels, rather than individual domains, subunits or classes.", + "directed": true, + "graph": { + "_id": "DB08980_MESH_D017202_1", + "disease": "Ischemic heart disease", + "disease_mesh": "MONDO:0024644", + "drug": "fendiline", + "drug_mesh": "CHEBI:94434", + "drugbank": "DB:DB08980" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:94434", + "target": "MESH:D015220" + }, + { + "key": "positively regulates", + "source": "MESH:D015220", + "target": "GO:0070509" + }, + { + "key": "positively correlated with", + "source": "GO:0070509", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0033401" + }, + { + "key": "located in", + "source": "HP:0033401", + "target": "UBERON:0000948" + }, + { + "key": "location of", + "source": "UBERON:0000948", + "target": "MONDO:0024644" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005275", + "label": "Drug", + "name": "fendiline" + }, + { + "id": "MESH:D015220", + "label": "GeneFamily", + "name": "Calcium Channels" + }, + { + "id": "GO:0070509", + "label": "BiologicalProcess", + "name": "calcium ion import" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0033401", + "label": "PhenotypicFeature", + "name": "Tissue ischemia" + }, + { + "id": "UBERON:0000948", + "label": "GrossAnatomicalStructure", + "name": "heart" + }, + { + "id": "MESH:D017202", + "label": "Disease", + "name": "Ischemic heart disease" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Fendiline" + ] + }, + { + "comment": "Althouth InterPro and Pfam have entries to encompass different types of calcium channels, the chosen MESH term is the most generic term that encompasses ALL calcium channels, rather than individual domains, subunits or classes.", + "directed": true, + "graph": { + "_id": "DB00356_MESH_D009128_1", + "disease": "Spasticity", + "disease_mesh": "HP:0001257", + "drug": 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"positively regulates", + "source": "CHEBI:3655", + "target": "GO:0016917" + }, + { + "key": "positively correlated with", + "source": "GO:0016917", + "target": "GO:0061534" + }, + { + "key": "positively correlated with", + "source": "GO:0061534", + "target": "GO:0090075" + }, + { + "key": "positively correlated with", + "source": "GO:0006936", + "target": "HP:0001257" + }, + { + "key": "negatively correlated with", + "source": "GO:0090075", + "target": "HP:0001257" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002753", + "label": "Drug", + "name": "chlorzoxazone" + }, + { + "id": "MESH:D015220", + "label": "GeneFamily", + "name": "Calcium Channels" + }, + { + "id": "MESH:D015221", + "label": "GeneFamily", + "name": "Potassium Channels" + }, + { + "id": "GO:0016917", + "label": "MolecularActivity", + "name": "GABA receptor activity" + }, + { + "id": "GO:0061534", + "label": "BiologicalProcess", + "name": "Gamma-aminobutyric acid secretion, neurotransmission" + }, + { + "id": "GO:0090075", + "label": "BiologicalProcess", + "name": "relaxation of muscle" + }, + { + "id": "GO:0006936", + "label": "BiologicalProcess", + "name": "muscle contraction" + }, + { + "id": "HP:0031826", + "label": "PhenotypicFeature", + "name": "Abnormal reflex" + }, + { + "id": "HP:0003394", + "label": "PhenotypicFeature", + "name": "Muscle spasm" + }, + { + "id": "HP:0002493", + "label": "PhenotypicFeature", + "name": "Upper motor neuron dysfunction" + }, + { + "id": "MESH:D009128", + "label": "Disease", + "name": "Spasticity" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Chlorzoxazone" + ] + }, + { + "comment": "Withdrawn", + "directed": true, + "graph": { + "_id": "DB00830_MESH_D009765_1", + "disease": "Obesity", + "disease_mesh": "MONDO:0011122", + "drug": "phenmetrazine", + "drug_mesh": "CHEBI:8067", + "drugbank": "DB:DB00830" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:8067", + "target": "UniProt:P23975" + }, + { + "key": "negatively regulates", + "source": "CHEBI:8067", + "target": "UniProt:Q01959" + }, + { + "key": "positively correlated with", + "source": "UniProt:P23975", + "target": "GO:0051583" + }, + { + "key": "positively correlated with", + "source": "UniProt:Q01959", + "target": "GO:0051583" + }, + { + "key": "located in", + "source": "GO:0051583", + "target": "UBERON:0004092" + }, + { + "key": "correlated with", + "source": "UBERON:0004092", + "target": "HP:0100738" + }, + { + "key": "correlated with", + "source": "HP:0100738", + "target": "HP:0004324" + }, + { + "key": "manifestation of", + "source": "HP:0004324", + "target": "MONDO:0011122" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010633", + "label": "Drug", + "name": "phenmetrazine" + }, + { + "id": "UniProt:Q01959", + "label": "Protein", + "name": "Sodium-dependent dopamine transporter" + }, + { + "id": "UniProt:P23975", + "label": "Protein", + "name": "Sodium-dependent noradrenaline transporter" + }, + { + "id": "GO:0051583", + "label": "BiologicalProcess", + "name": "dopamine uptake involved in synaptic transmission" + }, + { + "id": "UBERON:0004092", + "label": "GrossAnatomicalStructure", + "name": "hypothalamus-pituitary axis" + }, + { + "id": "HP:0100738", + "label": "PhenotypicFeature", + "name": "Abnormal eating behavior" + }, + { + "id": "HP:0004324", + "label": "PhenotypicFeature", + "name": "Increased body weight" + }, + { + "id": "MESH:D009765", + "label": "Disease", + "name": "Obesity" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00830", + "https://en.wikipedia.org/wiki/Phenmetrazine#Pharmacology" + ] + }, + { + "comment": "Phentolamine primary action is vasodilation due to \u03b11 blockade.", + "directed": true, + "graph": { + "_id": "DB00692_MESH_D016491_1", + "disease": "Peripheral vascular disease", + "disease_mesh": "MONDO:0005294", + "drug": "phentolamine", + "drug_mesh": "CHEBI:8081", + "drugbank": "DB:DB00692" + }, + "links": [ + { + "key": "decreases 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"UniProt:P35348", + "label": "Protein", + "name": "Alpha-1A adrenergic receptor" + }, + { + "id": "UniProt:P25100", + "label": "Protein", + "name": "Alpha-1D adrenergic receptor" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "Vasoconstriction" + }, + { + "id": "HP:0000822", + "label": "PhenotypicFeature", + "name": "Hypertension" + }, + { + "id": "MESH:D016491", + "label": "Disease", + "name": "Peripheral vascular disease" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Phentolamine", + "https://go.drugbank.com/drugs/DB00692#BE0000501", + "https://en.wikipedia.org/wiki/Peripheral_artery_disease#Mechanism" + ] + }, + { + "comment": "Phentolamine primary action is vasodilation due to \u03b11 blockade.", + "directed": true, + "graph": { + "_id": "DB00692_MESH_D010673_1", + "disease": "Pheochromocytoma", + "disease_mesh": "MONDO:0008233", + "drug": "phentolamine", + "drug_mesh": "CHEBI:8081", + "drugbank": "DB:DB00692" + }, + "links": [ + { + "key": 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"UniProt:P35348", + "label": "Protein", + "name": "Alpha-1A adrenergic receptor" + }, + { + "id": "UniProt:P25100", + "label": "Protein", + "name": "Alpha-1D adrenergic receptor" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "Vasoconstriction" + }, + { + "id": "HP:0000822", + "label": "PhenotypicFeature", + "name": "Hypertension" + }, + { + "id": "MESH:D010673", + "label": "Disease", + "name": "Pheochromocytoma" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Phentolamine", + "https://go.drugbank.com/drugs/DB00692#BE0000501", + "https://en.wikipedia.org/wiki/Pheochromocytoma" + ] + }, + { + "comment": "The precise mode of action of thiabendazole on the parasite is unknown, but it most likely inhibits the helminth-specific enzyme fumarate reductase.", + "directed": true, + "graph": { + "_id": "DB00730_MESH_D013322_1", + "disease": "Infection by Strongyloides", + "disease_mesh": "MONDO:0005974", + "drug": "thiabendazole", + "drug_mesh": "CHEBI:45979", + "drugbank": "DB:DB00730" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:45979", + "target": "InterPro:IPR005884" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005884", + "target": "GO:0009061" + }, + { + "key": "in taxon", + "source": "GO:0009061", + "target": "taxonomy:6247" + }, + { + "key": "causes", + "source": "taxonomy:6247", + "target": "MONDO:0005974" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013827", + "label": "Drug", + "name": "Thiabendazole" + }, + { + "id": "GO:0009061", + "label": "BiologicalProcess", + "name": "Anaerobic respiration" + }, + { + "id": "InterPro:IPR005884", + "label": "GeneFamily", + "name": "Fumarate reductase, flavoprotein subunit" + }, + { + "id": "taxonomy:6247", + "label": "OrganismTaxon", + "name": "Strongyloides" + }, + { + "id": "MESH:D013322", + "label": "Disease", + "name": "Infection by Strongyloides" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00730#BE0000548", + "https://en.wikipedia.org/wiki/Tiabendazole", + "https://en.wikipedia.org/wiki/Fumarate_reductase" + ] + }, + { + "comment": "The precise mode of action of thiabendazole on the parasite is unknown, but it most likely inhibits the helminth-specific enzyme fumarate reductase.", + "directed": true, + "graph": { + "_id": "DB00730_MESH_D007815_1", + "disease": "Cutaneous larva migrans", + "disease_mesh": "MONDO:0018500", + "drug": "thiabendazole", + "drug_mesh": "CHEBI:45979", + "drugbank": "DB:DB00730" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:45979", + "target": "InterPro:IPR005884" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR005884", + "target": "GO:0009061" + }, + { + "key": "in taxon", + "source": "GO:0009061", + "target": "taxonomy:33278" + }, + { + "key": "causes", + "source": "taxonomy:33278", + "target": "MONDO:0018500" + } + ], + "multigraph": true, + "nodes": [ + { + "id": 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Halofantrine is never used to prevent malaria, rather for treatment only due to its toxicity.", + "directed": true, + "graph": { + "_id": "DB01218_MESH_D016778_1", + "disease": "Falciparum malaria", + "disease_mesh": "MONDO:0005920", + "drug": "halofantrine", + "drug_mesh": "CHEBI:94392", + "drugbank": "DB:DB01218" + }, + "links": [ + { + "key": "molecularly interacts with", + "source": "CHEBI:94392", + "target": "UNII:C2K325S808" + }, + { + "key": "disrupts", + "source": "UNII:C2K325S808", + "target": "taxonomy:5833" + }, + { + "key": "causes", + "source": "taxonomy:5833", + "target": "MONDO:0005920" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C023768", + "label": "Drug", + "name": "halofantrine" + }, + { + "id": "CHEBI:15430", + "label": "ChemicalSubstance", + "name": "protoporphyrin" + }, + { + "id": "taxonomy:5833", + "label": "OrganismTaxon", + "name": "Plasmodium falciparum" + }, + { + "id": "MESH:D016778", + "label": "Disease", + "name": "Falciparum malaria" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01218" + ] + }, + { + "comment": "Mechanism of action is unknown (https://en.wikipedia.org/wiki/Halofantrine#Pharmacology). 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For the treatment of allergic conjunctivitis the ketorolac tromethamine is used.", + "directed": true, + "graph": { + "_id": "DBSALT001045_MESH_D003233_1", + "disease": "Allergic conjunctivitis", + "disease_mesh": "MONDO:0005642", + "drug": "Ketorolac tromethamine", + "drug_mesh": "MESH:D020911", + "drugbank": "DB:DBSALT001045" + }, + "links": [ + { + "key": "decreases activity of", + "source": "DB:DBSALT001045", + "target": "UniProt:P35354" + }, + { + "key": "decreases activity of", + "source": "DB:DBSALT001045", + "target": "UniProt:P23219" + }, + { + "key": "increases abundance of", + "source": "UniProt:P35354", + "target": "CHEBI:26333" + }, + { + "key": "increases abundance of", + "source": "UniProt:P23219", + "target": "CHEBI:26333" + }, + { + "key": "participates in", + "source": "CHEBI:26333", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MONDO:0005642" + } + ], + "multigraph": true, + "nodes": [ + { + "id": 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}, + { + "comment": "Mechanism of action unknown. The hypothesis for the natural concentration is that lutein helps protect from oxidative stress", + "directed": true, + "graph": { + "_id": "DB00137_MESH_D008268_2", + "disease": "Age related macular degeneration", + "disease_mesh": "MONDO:0003004", + "drug": "lutein", + "drug_mesh": "CHEBI:28838", + "drugbank": "DB:DB00137" + }, + "links": [ + { + "key": "chemically similar to", + "source": "CHEBI:28838", + "target": "CHEBI:23044" + }, + { + "key": "located in", + "source": "CHEBI:23044", + "target": "UBERON:0000054" + }, + { + "key": "participates in", + "source": "UBERON:0000054", + "target": "GO:0016209" + }, + { + "key": "prevents", + "source": "GO:0016209", + "target": "MONDO:0003004" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014975", + "label": "Drug", + "name": "lutein" + }, + { + "id": "CHEBI:23044", + "label": "ChemicalSubstance", + "name": "carotenoid" + }, + { + "id": "UBERON:0000054", + "label": "GrossAnatomicalStructure", + "name": "Macula" + }, + { + "id": "GO:0016209", + "label": "MolecularActivity", + "name": "antioxidant activity" + }, + { + "id": "MESH:D008268", + "label": "Disease", + "name": "Age related macular degeneration" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00137", + "https://pubmed.ncbi.nlm.nih.gov/28425969/" + ] + }, + { + "comment": "Mechanism of action unknown. 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"graph": { + "_id": "DB00394_MESH_D065631_1", + "disease": "Allergic rhinitis", + "disease_mesh": "MONDO:0011786", + "drug": "Beclomethasone dipropionate", + "drug_mesh": null, + "drugbank": "DB:DB00394" + }, + "links": [ + { + "key": "has metabolite", + "source": "DB:DB00394", + "target": "CHEBI:3001" + }, + { + "key": "positively regulates", + "source": "CHEBI:3001", + "target": "UniProt:P04150" + }, + { + "key": "negatively regulates", + "source": "UniProt:P04150", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MONDO:0011786" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB00394", + "label": "Drug", + "name": "Beclomethasone dipropionate" + }, + { + "alt_names": [ + "Beclomethasone 17-monopropionate" + ], + "id": "CHEBI:3001", + "label": "ChemicalSubstance", + "name": "beclomethasone" + }, + { + "id": "UniProt:P04150", + "label": "Protein", + "name": "Glucocorticoid receptor" + }, + { + "id": 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"label": "Disease", + "name": "Thrombosis" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1464/", + "https://go.drugbank.com/drugs/DB00682" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00682_MESH_D011655_2", + "disease": "Pulmonary thromboembolism", + "disease_mesh": "MONDO:0005279", + "drug": "warfarin", + "drug_mesh": "CHEBI:10033", + "drugbank": "DB:DB00682" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:10033", + "target": "UniProt:Q9BQB6" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9BQB6", + "target": "GO:0007596" + }, + { + "key": "correlated with", + "source": "GO:0007596", + "target": "GO:0072378" + }, + { + "key": "affects risk for", + "source": "GO:0072378", + "target": "MONDO:0005279" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014859", + "label": "Drug", + "name": "warfarin" + }, + { + "id": "UniProt:Q9BQB6", + "label": "Protein", + "name": "Vitamin K epoxide reductase complex subunit 1" + }, + { + "id": "GO:0007596", + "label": "BiologicalProcess", + "name": "blood coagulation" + }, + { + "id": "GO:0072378", + "label": "BiologicalProcess", + "name": "blood coagulation, fibrin clot formation" + }, + { + "id": "MESH:D011655", + "label": "Disease", + "name": "Pulmonary thromboembolism" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1464/", + "https://go.drugbank.com/drugs/DB00682" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00013_MESH_D011655_1", + "disease": "Pulmonary thromboembolism", + "disease_mesh": "MONDO:0005279", + "drug": "urokinase", + "drug_mesh": "UNII:83G67E21XI", + "drugbank": "DB:DB00013" + }, + "links": [ + { + "key": "positively regulates", + "source": "UNII:83G67E21XI", + "target": "UniProt:P00747" + }, + { + "key": "positively regulates", + "source": "UniProt:P00747", + "target": "GO:0042730" + }, + { + "key": "negatively correlated with", + "source": "GO:0042730", + "target": "MONDO:0005279" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014568", + "label": "Drug", + "name": "urokinase" + }, + { + "id": "UniProt:P00747", + "label": "Protein", + "name": "Plasminogen" + }, + { + "id": "GO:0042730", + "label": "BiologicalProcess", + "name": "fibrinolysis" + }, + { + "id": "MESH:D011655", + "label": "Disease", + "name": "Pulmonary thromboembolism" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1201420/", + "https://go.drugbank.com/drugs/DB00013" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB08162_MESH_D020301_1", + "disease": "Spasm of cerebral arteries", + "disease_mesh": "MONDO:0006812", + "drug": "fasudil", + "drug_mesh": "CHEBI:43871", + "drugbank": "DB:DB08162" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:43871", + "target": "DB:DB04707" + }, + { + "key": "decreases activity of", + "source": "DB:DB04707", + "target": "UniProt:Q13464" + }, + { + "key": "positively regulates", + "source": "UniProt:Q13464", + "target": "GO:0014829" + }, + { + "key": "positively correlated with", + "source": "GO:0014829", + "target": "MONDO:0006812" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C049347", + "label": "Drug", + "name": "fasudil" + }, + { + "id": "DB:DB04707", + "label": "ChemicalSubstance", + "name": "Hydroxyfasudil" + }, + { + "id": "UniProt:Q13464", + "label": "Protein", + "name": "Rho-associated protein kinase 1" + }, + { + "id": "GO:0014829", + "label": "BiologicalProcess", + "name": "vascular associated smooth muscle contraction" + }, + { + "id": "MESH:D020301", + "label": "Disease", + "name": "Spasm of cerebral arteries" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Fasudil", + "https://en.wikipedia.org/wiki/Rho_kinase_inhibitor", + "https://go.drugbank.com/drugs/DB04707#BE0001016" + ] + }, + { + "comment": "Tipiracil may also play its anti-neoplastic role indirectly when admnistered in combination with Trifluridine (DB:DB00432). In this case, tipiracil will prevent trifluridine breakdown, thus increasing its bioavailability and boosting its systemiic presence (https://en.wikipedia.org/wiki/Trifluridine/tipiracil).", + "directed": true, + "graph": { + "_id": "DB09343_MESH_D003110_1", + "disease": "Malignant tumor of colon", + "disease_mesh": "MONDO:0005401", + "drug": "tipiracil", + "drug_mesh": "CHEBI:90879", + "drugbank": "DB:DB09343" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:90879", + "target": "UniProt:P19971" + }, + { + "key": "positively regulates", + "source": "UniProt:P19971", + "target": "GO:0001525" + }, + { + "key": "positively correlated with", + "source": "GO:0001525", + "target": "MONDO:0005401" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C000613754", + "label": "Drug", + "name": "tipiracil" + }, + { + "id": "UniProt:P19971", + "label": "Protein", + "name": "Thymidine phosphorylase" + }, + { + "id": "GO:0001525", + "label": "BiologicalProcess", + "name": "angiogenesis" + }, + { + "id": "MESH:D003110", + "label": "Disease", + "name": "Malignant tumor of colon" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09343" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB09517_MESH_D018798_1", + "disease": "Iron deficiency anemia", + "disease_mesh": "MONDO:0001356", + "drug": "ferrous gluconate", + "drug_mesh": "PUBCHEM.COMPOUND:198008", + "drugbank": "DB:DB09517" + }, + "links": [ + { + "key": "increases abundance of", + "source": "PUBCHEM.COMPOUND:198008", + "target": "CHEBI:18248" + }, + { + "key": "correlated with", + "source": "CHEBI:18248", + "target": "GO:0055072" + }, + { + "key": "negatively correlated with", + "source": "GO:0055072", + "target": "MONDO:0001356" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C011819", + "label": "Drug", + "name": "ferrous gluconate" + }, + { + "id": "CHEBI:18248", + "label": "ChemicalSubstance", + "name": "iron atom" + }, + { + "id": "GO:0055072", + "label": "BiologicalProcess", + "name": "iron ion homeostasis" + }, + { + "id": "MESH:D018798", + "label": "Disease", + "name": "Iron deficiency anemia" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Iron(II)_gluconate" + ] + }, + { + "comment": "The drug has no anti-parkinson activity per se. It is admnistered in combination with levodopa to prevent levodopa degradation to dopamine in extracerebral tissue, thereby decreasing the peripheral side effects of levodopa.", + "directed": true, + "graph": { + "_id": "DB00190_MESH_D010300_1", + "disease": "Parkinson's disease", + "disease_mesh": "MONDO:0005180", + "drug": "carbidopa", + "drug_mesh": "PUBCHEM.COMPOUND:38101", + "drugbank": "DB:DB00190" + }, + "links": [ + { + "key": "negatively regulates", + "source": "PUBCHEM.COMPOUND:38101", + "target": "UniProt:P20711" + }, + { + "key": "positively regulates", + "source": "UniProt:P20711", + "target": "GO:1903184" + }, + { + "key": "positively correlated with", + "source": "GO:1903184", + "target": "HP:0002017" + }, + { + "key": "manifestation of", + "source": "HP:0002017", + "target": "MONDO:0005180" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002230", + "label": "Drug", + "name": "carbidopa" + }, + { + "id": "UniProt:P20711", + "label": "Protein", + "name": "Aromatic-L-amino-acid decarboxylase" + }, + { + "id": "GO:1903184", + "label": "BiologicalProcess", + "name": "L-dopa metabolic process" + }, + { + "id": "HP:0002017", + "label": "PhenotypicFeature", + "name": "Nausea and vomiting" + }, + { + "id": "MESH:D010300", + "label": "Disease", + "name": "Parkinson's disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00190", + "https://www.ebmconsult.com/articles/carbidopa-levodopa-parkinson-disease", + "https://en.wikipedia.org/wiki/L-DOPA#Medical_use", + "https://en.wikipedia.org/wiki/Aromatic_L-amino_acid_decarboxylase_inhibitor", + "https://en.wikipedia.org/wiki/Carbidopa/levodopa#Mechanism_of_action" + ] + }, + { + "comment": "The drug has no anti-parkinson activity per se. It is admnistered in combination with levodopa to prevent levodopa degradation to dopamine in extracerebral tissue, thereby decreasing the peripheral side effects of levodopa.", + "directed": true, + "graph": { + "_id": "DB00190_MESH_D020734_1", + "disease": "Parkinsonism", + "disease_mesh": "MONDO:0021095", + "drug": "carbidopa", + "drug_mesh": "PUBCHEM.COMPOUND:38101", + "drugbank": "DB:DB00190" + }, + "links": [ + { + "key": "negatively regulates", + "source": "PUBCHEM.COMPOUND:38101", + "target": "UniProt:P20711" + }, + { + "key": "positively regulates", + "source": "UniProt:P20711", + "target": "GO:1903184" + }, + { + "key": "correlated with", + "source": "GO:1903184", + "target": "HP:0002017" + }, + { + "key": "manifestation of", + "source": "HP:0002017", + "target": "MONDO:0021095" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002230", + "label": "Drug", + "name": "carbidopa" + }, + { + "id": "UniProt:P20711", + "label": "Protein", + "name": "Aromatic-L-amino-acid decarboxylase" + }, + { + "id": "GO:1903184", + "label": "BiologicalProcess", + "name": "L-dopa metabolic process" + }, + { + "id": "HP:0002017", + "label": "PhenotypicFeature", + "name": "Nausea and vomiting" + }, + { + "id": "MESH:D020734", + "label": "Disease", + "name": "Parkinsonism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00190", + "https://www.ebmconsult.com/articles/carbidopa-levodopa-parkinson-disease", + "https://en.wikipedia.org/wiki/L-DOPA#Medical_use", + "https://en.wikipedia.org/wiki/Aromatic_L-amino_acid_decarboxylase_inhibitor", + "https://en.wikipedia.org/wiki/Carbidopa/levodopa#Mechanism_of_action" + ] + }, + { + "comment": "The drug has no anti-parkinson activity per se. It is admnistered in combination with levodopa to prevent levodopa degradation to dopamine in extracerebral tissue, thereby decreasing the peripheral side effects of levodopa.", + "directed": true, + "graph": { + "_id": "DB00190_MESH_D010301_1", + "disease": "Postencephalitic parkinsonism", + "disease_mesh": "MONDO:0001945", + "drug": "carbidopa", + "drug_mesh": "PUBCHEM.COMPOUND:38101", + "drugbank": "DB:DB00190" + }, + "links": [ + { + "key": "negatively regulates", + "source": "PUBCHEM.COMPOUND:38101", + "target": "UniProt:P20711" + }, + { + "key": "positively regulates", + "source": "UniProt:P20711", + "target": "GO:1903184" + }, + { + "key": "correlated with", + "source": "GO:1903184", + "target": "HP:0002017" + }, + { + "key": "manifestation of", + "source": "HP:0002017", + "target": "MONDO:0001945" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002230", + "label": "Drug", + "name": "carbidopa" + }, + { + "id": "UniProt:P20711", + "label": "Protein", + "name": "Aromatic-L-amino-acid decarboxylase" + }, + { + "id": "GO:1903184", + "label": "BiologicalProcess", + "name": "L-dopa metabolic process" + }, + { + "id": "HP:0002017", + "label": "PhenotypicFeature", + "name": "Nausea and vomiting" + }, + { + "id": "MESH:D010301", + "label": "Disease", + "name": "Postencephalitic parkinsonism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00190", + "https://www.ebmconsult.com/articles/carbidopa-levodopa-parkinson-disease", + "https://en.wikipedia.org/wiki/L-DOPA#Medical_use", + "https://en.wikipedia.org/wiki/Aromatic_L-amino_acid_decarboxylase_inhibitor", + "https://en.wikipedia.org/wiki/Carbidopa/levodopa#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00010_MESH_D004393_1", + "disease": "Pituitary dwarfism", + "disease_mesh": "MONDO:0006909", + "drug": "sermorelin", + "drug_mesh": "CHEBI:9118", + "drugbank": "DB:DB00010" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:9118", + "target": "UniProt:Q02643" + }, + { + "key": "increases activity of", + "source": "UniProt:Q02643", + "target": "UniProt:P01241" + }, + { + "key": "participates in", + "source": "UniProt:P01241", + "target": "GO:0060396" + }, + { + "key": "increases activity of", + "source": "GO:0060396", + "target": "UniProt:P05019" + }, + { + "key": "positively regulates", + "source": "UniProt:P05019", + "target": "GO:0035264" + }, + { + "key": "negatively correlated with", + "source": "GO:0035264", + "target": "MONDO:0006909" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D017337", + "label": "Drug", + "name": "Sermorelin" + }, + { + "id": "UniProt:Q02643", + "label": "Protein", + "name": "Growth hormone-releasing hormone receptor" + }, + { + "id": "UniProt:P01241", + "label": "Protein", + "name": "Somatotropin" + }, + { + "id": "GO:0060396", + "label": "BiologicalProcess", + "name": "Growth hormone receptor signaling pathway" + }, + { + "id": "UniProt:P05019", + "label": "Protein", + "name": "Insulin-like growth factor I" + }, + { + "id": "GO:0035264", + "label": "BiologicalProcess", + "name": "Multicellular organism growth" + }, + { + "id": "MESH:D004393", + "label": "Disease", + "name": "Pituitary dwarfism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00010#BE0000625" + ] + }, + { + "comments": "Withdrawn. Procyclidine acts by blocking central cholinergic receptors, and thus balancing cholinergic and dopaminergic activity in the basal ganglia.", + "directed": true, + "graph": { + "_id": "DB00387_MESH_D001480_1", + "disease": "Extrapyramidal disease", + "disease_mesh": "MONDO:0003996", + "drug": "procyclidine", + "drug_mesh": "CHEBI:8448", + "drugbank": "DB:DB00387" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:8448", + "target": "UniProt:P11229" + }, + { + "key": "negatively regulates", + "source": "CHEBI:8448", + "target": "UniProt:P08172" + }, + { + "key": "negatively regulates", + "source": "CHEBI:8448", + "target": "UniProt:P08173" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08172", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08173", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "MONDO:0005395" + }, + { + "key": "manifestation of", + "source": "MONDO:0005395", + "target": "MONDO:0021095" + }, + { + "key": "manifestation of", + "source": "MONDO:0021095", + "target": "MONDO:0003996" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011352", + "label": "Drug", + "name": "Procyclidine" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "UniProt:P08172", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M2" + }, + { + "id": "UniProt:P08173", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M4" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "Synaptic transmission, cholinergic" + }, + { + "id": "HP:0100022", + "label": "PhenotypicFeature", + "name": "Abnormality of movement" + }, + { + "id": "HP:0001300", + "label": "PhenotypicFeature", + "name": "Parkinsonism" + }, + { + "id": "MESH:D001480", + "label": "Disease", + "name": "Extrapyramidal disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00387#BE0000560", + "https://en.wikipedia.org/wiki/Extrapyramidal_symptoms" + ] + }, + { + "comments": "Withdrawn. Procyclidine acts by blocking central cholinergic receptors, and thus balancing cholinergic and dopaminergic activity in the basal ganglia.", + "directed": true, + "graph": { + "_id": "DB00387_MESH_D020734_1", + "disease": "Parkinsonism", + "disease_mesh": "MONDO:0021095", + "drug": "procyclidine", + "drug_mesh": "CHEBI:8448", + "drugbank": "DB:DB00387" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:8448", + "target": "UniProt:P11229" + }, + { + "key": "negatively regulates", + "source": "CHEBI:8448", + "target": "UniProt:P08172" + }, + { + "key": "negatively regulates", + "source": "CHEBI:8448", + "target": "UniProt:P08173" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08172", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08173", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "MONDO:0005395" + }, + { + "key": "manifestation of", + "source": "MONDO:0005395", + "target": "MONDO:0021095" + }, + { + "key": "manifestation of", + "source": "MONDO:0021095", + "target": "MONDO:0021095" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011352", + "label": "Drug", + "name": "Procyclidine" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "UniProt:P08172", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M2" + }, + { + "id": "UniProt:P08173", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M4" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "Synaptic transmission, cholinergic" + }, + { + "id": "HP:0100022", + "label": "PhenotypicFeature", + "name": "Abnormality of movement" + }, + { + "id": "HP:0001300", + "label": "PhenotypicFeature", + "name": "Parkinsonism" + }, + { + "id": "MESH:D020734", + "label": "Disease", + "name": "Parkinsonism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00387#BE0000560" + ] + }, + { + "comments": "Withdrawn. Procyclidine acts by blocking central cholinergic receptors, and thus balancing cholinergic and dopaminergic activity in the basal ganglia.", + "directed": true, + "graph": { + "_id": "DB00387_MESH_D010300_1", + "disease": "Parkinson's disease", + "disease_mesh": "MONDO:0005180", + "drug": "procyclidine", + "drug_mesh": "CHEBI:8448", + "drugbank": "DB:DB00387" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:8448", + "target": "UniProt:P11229" + }, + { + "key": "negatively regulates", + "source": "CHEBI:8448", + "target": "UniProt:P08172" + }, + { + "key": "negatively regulates", + "source": "CHEBI:8448", + "target": "UniProt:P08173" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08172", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08173", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "MONDO:0005395" + }, + { + "key": "manifestation of", + "source": "MONDO:0005395", + "target": "MONDO:0021095" + }, + { + "key": "manifestation of", + "source": "MONDO:0021095", + "target": "MONDO:0005180" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011352", + "label": "Drug", + "name": "Procyclidine" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "UniProt:P08172", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M2" + }, + { + "id": "UniProt:P08173", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M4" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "Synaptic transmission, cholinergic" + }, + { + "id": "HP:0100022", + "label": "PhenotypicFeature", + "name": "Abnormality of movement" + }, + { + "id": "HP:0001300", + "label": "PhenotypicFeature", + "name": "Parkinsonism" + }, + { + "id": "MESH:D010300", + "label": "Disease", + "name": "Parkinson's disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00387#BE0000560" + ] + }, + { + "comments": "Withdrawn. Procyclidine acts by blocking central cholinergic receptors, and thus balancing cholinergic and dopaminergic activity in the basal ganglia.", + "directed": true, + "graph": { + "_id": "DB00387_MESH_D010301_1", + "disease": "Postencephalitic parkinsonism", + "disease_mesh": "MONDO:0001945", + "drug": "procyclidine", + "drug_mesh": "CHEBI:8448", + "drugbank": "DB:DB00387" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:8448", + "target": "UniProt:P11229" + }, + { + "key": "negatively regulates", + "source": "CHEBI:8448", + "target": "UniProt:P08172" + }, + { + "key": "negatively regulates", + "source": "CHEBI:8448", + "target": "UniProt:P08173" + }, + { + "key": "positively regulates", + "source": "UniProt:P11229", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08172", + "target": "GO:0007271" + }, + { + "key": "positively regulates", + "source": "UniProt:P08173", + "target": "GO:0007271" + }, + { + "key": "positively correlated with", + "source": "GO:0007271", + "target": "MONDO:0005395" + }, + { + "key": "manifestation of", + "source": "MONDO:0005395", + "target": "MONDO:0021095" + }, + { + "key": "manifestation of", + "source": "MONDO:0021095", + "target": "MONDO:0001945" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011352", + "label": "Drug", + "name": "Procyclidine" + }, + { + "id": "UniProt:P11229", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M1" + }, + { + "id": "UniProt:P08172", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M2" + }, + { + "id": "UniProt:P08173", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M4" + }, + { + "id": "GO:0007271", + "label": "BiologicalProcess", + "name": "Synaptic transmission, cholinergic" + }, + { + "id": "HP:0100022", + "label": "PhenotypicFeature", + "name": "Abnormality of movement" + }, + { + "id": "HP:0001300", + "label": "PhenotypicFeature", + "name": "Parkinsonism" + }, + { + "id": "MESH:D010301", + "label": "Disease", + "name": "Postencephalitic parkinsonism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00387#BE0000560" + ] + }, + { + "comment": "Withdrawn. Etretinate was taken off the market in Canada in 1996 and America in 1998 due to the risk of birth defects. Etretinate is now used to treat T-cell lymphomas.", + "directed": true, + "graph": { + "_id": "DB00926_MESH_D011565_1", + "disease": "Psoriasis", + "disease_mesh": "MONDO:0005083", + "drug": "etretinate", + "drug_mesh": "CHEBI:4913", + "drugbank": "DB:DB00926" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:4913", + "target": "UniProt:P10276" + }, + { + "key": "increases activity of", + "source": "CHEBI:4913", + "target": "UniProt:P10826" + }, + { + "key": "increases activity of", + "source": "CHEBI:4913", + "target": "UniProt:P19793" + }, + { + "key": "increases activity of", + "source": "CHEBI:4913", + "target": "UniProt:P48443" + }, + { + "key": "negatively regulates", + "source": "UniProt:P10276", + "target": "GO:0031424" + }, + { + "key": "negatively regulates", + "source": "UniProt:P19793", + "target": "GO:0031424" + }, + { + "key": "negatively regulates", + "source": "UniProt:P10826", + "target": "GO:0031424" + }, + { + "key": "negatively regulates", + "source": "UniProt:P48443", + "target": "GO:0031424" + }, + { + "key": "negatively regulates", + "source": "UniProt:P10276", + "target": "GO:0010481" + }, + { + "key": "negatively regulates", + "source": "UniProt:P19793", + "target": "GO:0010481" + }, + { + "key": "negatively regulates", + "source": "UniProt:P10826", + "target": "GO:0010481" + }, + { + "key": "negatively regulates", + "source": "UniProt:P48443", + "target": "GO:0010481" + }, + { + "key": "positively correlated with", + "source": "GO:0031424", + "target": "MONDO:0005083" + }, + { + "key": "positively correlated with", + "source": "GO:0010481", + "target": "MONDO:0005083" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005050", + "label": "Drug", + "name": "Etretinate" + }, + { + "id": "UniProt:P10276", + "label": "Protein", + "name": "Retinoic acid receptor alpha" + }, + { + "id": "UniProt:P10826", + "label": "Protein", + "name": "Retinoic acid receptor beta" + }, + { + "id": "UniProt:P19793", + "label": 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"drugbank": "DB:DB03209" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:30863", + "target": "InterPro:IPR023031" + }, + { + "key": "increases abundance of", + "source": "InterPro:IPR023031", + "target": "CHEBI:46345" + }, + { + "key": "positively correlated with", + "source": "CHEBI:46345", + "target": "GO:0097237" + }, + { + "key": "located in", + "source": "GO:0097237", + "target": "UBERON:0001199" + }, + { + "key": "location of", + "source": "UBERON:0001199", + "target": "MONDO:0021085" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010094", + "label": "Drug", + "name": "Oteracil" + }, + { + "id": "InterPro:IPR023031", + "label": "GeneFamily", + "name": "Orotate phosphoribosyltransferase" + }, + { + "id": "MESH:D005472", + "label": "ChemicalSubstance", + "name": "Fluorouracil" + }, + { + "id": "GO:0097237", + "label": "BiologicalProcess", + "name": "Cellular response to toxic substance" + }, + { + "id": "UBERON:0001199", + "label": 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"CHEBI:5120", + "drugbank": "DB:DB01185" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:5120", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0030521" + }, + { + "key": "positively correlated with", + "source": "GO:0030521", + "target": "GO:0046544" + }, + { + "key": "negatively correlated with", + "source": "GO:0046544", + "target": "MONDO:0006823" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005474", + "label": "Drug", + "name": "Fluoxymesterone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0030521", + "label": "BiologicalProcess", + "name": "Androgen receptor signaling pathway" + }, + { + "id": "GO:0046544", + "label": "BiologicalProcess", + "name": "Development of secondary male sexual characteristics" + }, + { + "id": "MESH:D007713", + "label": "Disease", + "name": "Klinefelter Syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01185", + "https://en.wikipedia.org/wiki/Fluoxymesterone", + "https://en.wikipedia.org/wiki/Androgen" + ] + }, + { + "comment": "Fluoxymesterone is a synthetic androgen, or male hormone, similar to testosterone", + "directed": true, + "graph": { + "_id": "DB01185_MESH_D003456_3", + "disease": "Cryptorchidism", + "disease_mesh": "MONDO:0009047", + "drug": "Fluoxymesterone", + "drug_mesh": "CHEBI:5120", + "drugbank": "DB:DB01185" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:5120", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0030521" + }, + { + "key": "positively regulates", + "source": "GO:0030521", + "target": "GO:0007283" + }, + { + "key": "manifestation of", + "source": "GO:0007283", + "target": "MONDO:0009047" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005474", + "label": "Drug", + "name": "Fluoxymesterone" + }, + 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No clear mechanism of action is found in literature evidences.", + "directed": true, + "graph": { + "_id": "DB01185_MESH_D005058_3", + "disease": "Eunuchism", + "disease_mesh": "MONDO:0005758", + "drug": "Fluoxymesterone", + "drug_mesh": "CHEBI:5120", + "drugbank": "DB:DB01185" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:5120", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0030521" + }, + { + "key": "positively correlated with", + "source": "GO:0030521", + "target": "GO:0046544" + }, + { + "key": "negatively correlated with", + "source": "GO:0046544", + "target": "MONDO:0005758" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005474", + "label": "Drug", + "name": "Fluoxymesterone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0030521", + "label": "BiologicalProcess", + "name": "Androgen receptor signaling 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hydrocortisone", + "directed": true, + "graph": { + "_id": "DB00687_MESH_D000224_2", + "disease": "Addison disease", + "disease_mesh": "MONDO:0015129", + "drug": "Fludrocortisone acetate", + "drug_mesh": "CHEBI:5102", + "drugbank": "DB:DB00687" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:5102", + "target": "CHEBI:50885" + }, + { + "key": "increases activity of", + "source": "CHEBI:50885", + "target": "UniProt:P08235" + }, + { + "key": "positively correlated with", + "source": "UniProt:P08235", + "target": "GO:0070294" + }, + { + "key": "increases abundance of", + "source": "GO:0070294", + "target": "CHEBI:26708" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:26708", + "target": "MONDO:0005468" + }, + { + "key": "positively correlated with", + "source": "UniProt:P08235", + "target": "GO:0036359" + }, + { + "key": "decreases abundance of", + "source": "GO:0036359", + "target": "CHEBI:26216" + }, + { + "key": "contributes to", + "source": 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"id": "MESH:D015470", + "label": "Disease", + "name": "Acute myeloid leukemia, disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00056", + "http://chemocare.com/chemotherapy/drug-info/gemtuzumab-ozogamicin.aspx" + ] + }, + { + "comment": "Fluoxymesterone is a synthetic androgen, or male hormone, similar to testosterone. No clear mechanism of action is found in literature evidences.", + "directed": true, + "graph": { + "_id": "DB01185_MESH_D009634_2", + "disease": "Noonan syndrome", + "disease_mesh": "MONDO:0018997", + "drug": "Fluoxymesterone", + "drug_mesh": "CHEBI:5120", + "drugbank": "DB:DB01185" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:5120", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0030521" + }, + { + "key": "positively correlated with", + "source": "GO:0030521", + "target": "GO:0046544" + }, + { + "key": "negatively correlated with", + "source": "GO:0046544", + "target": "MONDO:0018997" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005474", + "label": "Drug", + "name": "Fluoxymesterone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0030521", + "label": "BiologicalProcess", + "name": "Androgen receptor signaling pathway" + }, + { + "id": "GO:0046544", + "label": "BiologicalProcess", + "name": "Development of secondary male sexual characteristics" + }, + { + "id": "MESH:D009634", + "label": "Disease", + "name": "Noonan syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01185", + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1049925/" + ] + }, + { + "comment": "In the DrugCentral serine is indicated for Pulmonary tuberculosis, however no literature evidences found about the mechanism of action of serine treating pulmonary tuberculosis.", + "directed": true, + "graph": { + "_id": "DB00133_MESH_D014397_1", + "disease": "Pulmonary tuberculosis", + "disease_mesh": "MONDO:0006052", + "drug": "serine", + "drug_mesh": "CHEBI:17115", + "drugbank": "DB:DB00133" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:17115", + "target": "MONDO:0006052" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D012694", + "label": "Drug", + "name": "Serine" + }, + { + "id": "MESH:D014397", + "label": "Disease", + "name": "Pulmonary tuberculosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00133" + ] + }, + { + "comment": "In the DrugCentral serine is indicated for open-angle glaucoma, however no literature evidences found about the mechanism of action of serine treating open-angle glaucoma.", + "directed": true, + "graph": { + "_id": "DB00133_MESH_D005902_1", + "disease": "Open-angle glaucoma", + "disease_mesh": "MONDO:0005338", + "drug": "serine", + "drug_mesh": "CHEBI:17115", + "drugbank": "DB:DB00133" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:17115", + "target": "MONDO:0005338" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D012694", + "label": "Drug", + "name": "Serine" + }, + { + "id": "MESH:D005902", + "label": "Disease", + "name": "Open-angle glaucoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00133" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00348_MESH_D020176_1", + "disease": "Tyrosinemia type I", + "disease_mesh": "MONDO:0004741", + "drug": "nitisinone", + "drug_mesh": "CHEBI:50378", + "drugbank": "DB:DB00348" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:50378", + "target": "UniProt:P32754" + }, + { + "key": "positively regulates", + "source": "UniProt:P32754", + "target": "GO:0006572" + }, + { + "key": "produces", + "source": "GO:0006572", + "target": "CHEBI:30907" + }, + { + "key": "contributes to", + "source": "CHEBI:30907", + "target": "MONDO:0005155" + }, + { + "key": "manifestation of", + "source": "MONDO:0005155", + "target": "MONDO:0004741" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C077073", + "label": "Drug", + "name": "Nitisinone" + }, + { + "id": "UniProt:P32754", + "label": "Protein", + "name": "4-hydroxyphenylpyruvate dioxygenase" + }, + { + "id": "GO:0006572", + "label": "BiologicalProcess", + "name": "Tyrosine catabolic process" + }, + { + "id": "MESH:C105171", + "label": "ChemicalSubstance", + "name": "Fumarylacetoacetate" + }, + { + "id": "HP:0001394", + "label": "PhenotypicFeature", + "name": "Cirrhosis" + }, + { + "id": "MESH:D020176", + "label": "Disease", + "name": "Tyrosinemia type I" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Tyrosinemia_type_I", + "https://go.drugbank.com/drugs/DB00348#BE0000455" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00375_MESH_D006937_1", + "disease": "Hypercholesterolemia", + "disease_mesh": "HP:0003124", + "drug": "colestipol", + "drug_mesh": "PUBCHEM.COMPOUND:3084661", + "drugbank": "DB:DB00375" + }, + "links": [ + { + "key": "decreases abundance of", + "source": "PUBCHEM.COMPOUND:3084661", + "target": "CHEBI:138366" + }, + { + "key": "derives from", + "source": "CHEBI:138366", + "target": "CHEBI:16113" + }, + { + "key": "positively correlated with", + "source": "CHEBI:16113", + "target": "HP:0003124" + }, + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:3084661", + "target": "UniProt:P01130" + }, + { + "key": "positively regulates", + "source": "UniProt:P01130", + "target": "GO:0034383" + }, + { + "key": "decreases abundance of", + "source": "GO:0034383", + "target": "MESH:D008077" + }, + { + "key": "positively correlated with", + "source": "MESH:D008077", + "target": "HP:0003124" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003084", + "label": "Drug", + "name": "Colestipol" + }, + { + "id": "MESH:D001647", + "label": "ChemicalSubstance", + "name": "Bile Acids and Salts" + }, + { + "id": "MESH:D002784", + "label": "ChemicalSubstance", + "name": "Cholesterol" + }, + { + "id": "UniProt:P01130", + "label": "Protein", + "name": "Low-density lipoprotein receptor" + }, + { + "id": "GO:0034383", + "label": "BiologicalProcess", + "name": "Low-density lipoprotein particle clearance" + }, + { + "id": "MESH:D008077", + "label": "ChemicalSubstance", + "name": "Lipoproteins, LDL" + }, + { + "id": "MESH:D006937", + "label": "Disease", + "name": "Hypercholesterolemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00375#BE0004809" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00375_MESH_D006949_1", + "disease": "Hyperlipidemia", + "disease_mesh": "MONDO:0021187", + "drug": "colestipol", + "drug_mesh": "PUBCHEM.COMPOUND:3084661", + "drugbank": "DB:DB00375" + }, + "links": [ + { + "key": "decreases abundance of", + "source": "PUBCHEM.COMPOUND:3084661", + "target": "CHEBI:138366" + }, + { + "key": "derives from", + "source": "CHEBI:138366", + "target": "CHEBI:16113" + }, + { + "key": "positively correlated with", + "source": "CHEBI:16113", + "target": "MONDO:0021187" + }, + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:3084661", + "target": "UniProt:P01130" + }, + { + "key": "positively regulates", + "source": "UniProt:P01130", + "target": "GO:0034383" + }, + { + "key": "decreases abundance of", + "source": "GO:0034383", + "target": "MESH:D008077" + }, 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"disease_mesh": "MONDO:0005044", + "drug": "guanabenz", + "drug_mesh": "CHEBI:5553", + "drugbank": "DB:DB00629" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:5553", + "target": "UniProt:P08913" + }, + { + "key": "positively correlated with", + "source": "UniProt:P08913", + "target": "GO:0004938" + }, + { + "key": "negatively regulates", + "source": "GO:0004938", + "target": "GO:0061533" + }, + { + "key": "positively regulates", + "source": "GO:0061533", + "target": "MONDO:0005044" + }, + { + "key": "positively correlated with", + "source": "MONDO:0005044", + "target": "MONDO:0005044" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D006143", + "label": "Drug", + "name": "Guanabenz" + }, + { + "id": "UniProt:P08913", + "label": "Protein", + "name": "Alpha-2A adrenergic receptor" + }, + { + "id": "GO:0004938", + "label": "BiologicalProcess", + "name": "Alpha2-adrenergic receptor activity" + }, + { + "id": "GO:0061533", + "label": 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"Contraindicated", + "directed": true, + "graph": { + "_id": "DB00717_MESH_D000152_1", + "disease": "Acne vulgaris", + "disease_mesh": "MONDO:0011438", + "drug": "norethisterone", + "drug_mesh": "CHEBI:7627", + "drugbank": "DB:DB00717" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:7627", + "target": "UniProt:P10275" + }, + { + "key": "molecularly interacts with", + "source": "UniProt:P10275", + "target": "CHEBI:50113" + }, + { + "key": "contributes to", + "source": "CHEBI:50113", + "target": "MONDO:0011438" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009640", + "label": "Drug", + "name": "Norethisterone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "MESH:D000728", + "label": "ChemicalSubstance", + "name": "Androgens" + }, + { + "id": "MESH:D000152", + "label": "Disease", + "name": "Acne vulgaris" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00717", + "https://en.wikipedia.org/wiki/Norethisterone#Side_effects" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00717_MESH_D004715_1", + "disease": "Endometriosis", + "disease_mesh": "MONDO:0005133", + "drug": "norethindrone acetate", + "drug_mesh": "MESH:C024262", + "drugbank": "DB:DB00717" + }, + "links": [ + { + "key": "increases activity of", + "source": "MESH:C024262", + "target": "UniProt:P06401" + }, + { + "key": "molecularly interacts with", + "source": "UniProt:P06401", + "target": "CHEBI:17026" + }, + { + "key": "negatively regulates", + "source": "CHEBI:17026", + "target": "GO:0008283" + }, + { + "key": "located in", + "source": "GO:0008283", + "target": "UBERON:0001295" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001295", + "target": "MONDO:0005133" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C024262", + "label": "Drug", + "name": "Norethindrone acetate" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "MESH:D011374", + "label": "ChemicalSubstance", + "name": "Progesterone" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "Cell population proliferation" + }, + { + "id": "UBERON:0001295", + "label": "GrossAnatomicalStructure", + "name": "Endometrium" + }, + { + "id": "MESH:D004715", + "label": "Disease", + "name": "Endometriosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00717" + ] + }, + { + "comment": "Only combination of estradiol and norethindrone is used for the treatment of atrophic vaginitis. Please refer to this curation DB00783_MESH_D059268_1 for MoA.", + "directed": true, + "graph": { + "_id": "DB00717_MESH_D059268_1", + "disease": "Atrophic vaginitis", + "disease_mesh": "MONDO:0001410", + "drug": "norethindrone acetate", + "drug_mesh": "CHEBI:7627", + "drugbank": "DB:DB00717" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:7627", + "target": "MONDO:0001410" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009640", + "label": "Drug", + "name": "Norethisterone" + }, + { + "id": "MESH:D059268", + "label": "Disease", + "name": "Atrophic vaginitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00717" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00717_MESH_D008595_2", + "disease": "Menorrhagia", + "disease_mesh": "HP:0000132", + "drug": "norethisterone", + "drug_mesh": "CHEBI:7627", + "drugbank": "DB:DB00717" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:7627", + "target": "UniProt:P06401" + }, + { + "key": "negatively regulates", + "source": "UniProt:P06401", + "target": "GO:0050673" + }, + { + "key": "located in", + "source": "GO:0050673", + "target": "UBERON:0001295" + }, + { + "key": "correlated with", + "source": "UBERON:0001295", + "target": "HP:0030126" + }, + { + "key": "causes", + "source": "HP:0030126", + "target": "HP:0000132" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009640", + "label": "Drug", + "name": "Norethisterone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "UBERON:0001295", + "label": "GrossAnatomicalStructure", + "name": "Endometrium" + }, + { + "id": "HP:0030126", + "label": "PhenotypicFeature", + "name": "Abnormality of the endometrium" + }, + { + "id": "GO:0050673", + "label": "BiologicalProcess", + "name": "Epithelial cell proliferation" + }, + { + "id": "MESH:D008595", + "label": "Disease", + "name": "Menorrhagia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00717#BE0000557", + "https://pubmed.ncbi.nlm.nih.gov/8671392/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00717_MESH_D008796_1", + "disease": "Dysfunctional uterine bleeding", + "disease_mesh": "HP:0100608", + "drug": "norethisterone", + "drug_mesh": "CHEBI:7627", + "drugbank": "DB:DB00717" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:7627", + "target": "UniProt:P06401" + }, + { + "key": "negatively regulates", + "source": "UniProt:P06401", + "target": "GO:0050673" + }, + { + "key": "located in", + "source": "GO:0050673", + "target": "UBERON:0001295" + }, + { + "key": "correlated with", + "source": "UBERON:0001295", + "target": "HP:0030126" + }, + { + "key": "causes", + "source": "HP:0030126", + "target": "HP:0100608" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009640", + "label": "Drug", + "name": "Norethisterone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "UBERON:0001295", + "label": "GrossAnatomicalStructure", + "name": "Endometrium" + }, + { + "id": "HP:0030126", + "label": "PhenotypicFeature", + "name": "Abnormality of the endometrium" + }, + { + "id": "GO:0050673", + "label": "BiologicalProcess", + "name": "Epithelial cell proliferation" + }, + { + "id": "MESH:D008796", + "label": "Disease", + "name": "Dysfunctional uterine bleeding" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00717#BE0000557", + "https://pubmed.ncbi.nlm.nih.gov/8671392/" + ] + }, + { + "comment": "Only combination of Estradiol and norethindrone is used for the treatment of menopausal flushing. Please refer to this curation DB00783_MESH_D019584_1 for MoA.", + "directed": true, + "graph": { + "_id": "DB00717_MESH_D019584_1", + "disease": "Menopausal flushing", + "disease_mesh": "HP:0031217", + "drug": "norethisterone", + "drug_mesh": "CHEBI:7627", + "drugbank": "DB:DB00717" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:7627", + "target": "HP:0031217" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009640", + "label": "Drug", + "name": "Norethisterone" + }, + { + "id": "MESH:D019584", + "label": "Disease", + "name": "Menopausal flushing" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00717#BE0000557" + ] + }, + { + "comment": "Only combination of estradiol and norethindrone is used for the treatment of postmenopausal osteoporosis. Please refer to this curation DB00783_MESH_D015663_1 for MoA.", + "directed": true, + "graph": { + "_id": "DB00717_MESH_D015663_1", + "disease": "Postmenopausal osteoporosis", + "disease_mesh": "MONDO:0008159", + "drug": "norethisterone", + "drug_mesh": "CHEBI:7627", + "drugbank": "DB:DB00717" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:7627", + "target": "MONDO:0008159" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009640", + "label": "Drug", + "name": "Norethisterone" + }, + { + "id": "MESH:D015663", + "label": "Disease", + "name": "Postmenopausal osteoporosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00717#BE0000557" + ] + }, + { + "comment": "It is not approved for use in the United States, but is approved in other Western countries such as Canada, the UK and Australia.", + "directed": true, + "graph": { + "_id": "DB01171_MESH_D003866_1", + "disease": "Depressive disorder", + "disease_mesh": "MONDO:0002050", + "drug": 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The first two metabolites bind to estrogen receptors, primarily ER\u03b1 receptors, and have estrogenic effects on bone. There appears to have no IDs for the metabolites of tibolone in DrugBank, ChEBI or MESH.", + "directed": true, + "graph": { + "_id": "DB09070_MESH_D015663_1", + "disease": "Postmenopausal osteoporosis", + "disease_mesh": "MONDO:0008159", + "drug": "tibolone", + "drug_mesh": "CHEBI:32223", + "drugbank": "DB:DB09070" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:32223", + "target": "UniProt:P03372" + }, + { + "key": "positively regulates", + "source": "UniProt:P03372", + "target": "GO:0030520" + }, + { + "key": "negatively correlated with", + "source": "GO:0030520", + "target": "GO:0045453" + }, + { + "key": "positively correlated with", + "source": "GO:0045453", + "target": "MONDO:0008159" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C027385", + "label": "Drug", + "name": "tibolone" + }, + { + "id": "UniProt:P03372", + "label": "Protein", + "name": "Estrogen receptor" + }, + { + "id": "GO:0030520", + "label": "BiologicalProcess", + "name": 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"located in", + "source": "GO:0008283", + "target": "CL:0001064" + }, + { + "key": "positively correlated with", + "source": "CL:0001064", + "target": "MONDO:0011996" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014499", + "label": "Drug", + "name": "uracil mustard" + }, + { + "id": "CHEBI:16235", + "label": "ChemicalSubstance", + "name": "guanine" + }, + { + "id": "CHEBI:16040", + "label": "ChemicalSubstance", + "name": "cytosine" + }, + { + "id": "GO:0071897", + "label": "BiologicalProcess", + "name": "DNA biosynthetic process" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "Cell population proliferation" + }, + { + "id": "CL:0001064", + "label": "Cell", + "name": "cancer cell" + }, + { + "id": "MESH:D015464", + "label": "Disease", + "name": "Chronic myeloid leukemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00791#BE0004796", + "https://pubchem.ncbi.nlm.nih.gov/compound/Uracil-mustard" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00934_MESH_D003866_1", + "disease": "Depressive Disorder", + "disease_mesh": "MONDO:0002050", + "drug": "Maprotiline", + "drug_mesh": "CHEBI:6690", + "drugbank": "DB:DB00934" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:6690", + "target": "UniProt:P23975" + }, + { + "key": "participates in", + "source": "UniProt:P23975", + "target": "GO:0051620" + }, + { + "key": "located in", + "source": "GO:0051620", + "target": "UBERON:0027221" + }, + { + "key": "participates in", + "source": "UBERON:0027221", + "target": "MONDO:0002050" + }, + { + "key": "correlated with", + "source": "MONDO:0002050", + "target": "MONDO:0002050" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008376", + "label": "Drug", + "name": "Maprotiline" + }, + { + "id": "UniProt:P23975", + "label": "Protein", + "name": "Sodium-dependent noradrenaline transporter" + }, + { + "id": "GO:0051620", + "label": "BiologicalProcess", + "name": "norepinephrine uptake" + }, + { + "id": "UBERON:0027221", + "label": "GrossAnatomicalStructure", + "name": "adrenergic system" + }, + { + "id": "HP:0000716", + "label": "PhenotypicFeature", + "name": "Depression" + }, + { + "id": "MESH:D003866", + "label": "Disease", + "name": "Depressive Disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00934#mechanism-of-action", + "https://en.wikipedia.org/wiki/Maprotiline", + "https://www.uniprot.org/uniprot/P23975#function", + "https://en.wikipedia.org/wiki/Depression_(mood)", + "https://en.wikipedia.org/wiki/Major_depressive_disorder" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB08907_MESH_D003924_2", + "disease": "Diabetes mellitus type 2", + "disease_mesh": "MONDO:0005148", + "drug": "dapagliflozin", + "drug_mesh": "CHEBI:85078", + "drugbank": "DB:DB08907" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:85078", + "target": "UniProt:P31639" + }, + { + "key": "participates in", + "source": "UniProt:P31639", + "target": "GO:0035623" + }, + { + "key": "prevents", + "source": "GO:0035623", + "target": "HP:0003076" + }, + { + "key": "decreases abundance of", + "source": "HP:0003076", + "target": "MESH:D001786" + }, + { + "key": "correlated with", + "source": "MESH:D001786", + "target": "MONDO:0005148" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C529054", + "label": "Drug", + "name": "dapagliflozin" + }, + { + "id": "UniProt:P31639", + "label": "Protein", + "name": "Sodium/glucose cotransporter 2" + }, + { + "id": "GO:0035623", + "label": "BiologicalProcess", + "name": "Renal glucose absorption" + }, + { + "id": "HP:0003076", + "label": "PhenotypicFeature", + "name": "Glycosuria" + }, + { + "id": "MESH:D001786", + "label": "ChemicalSubstance", + "name": "Blood Glucose" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06292#BE0004753" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB08932_MESH_D000081029_1", + "disease": "Pulmonary arterial hypertension", + "disease_mesh": "MONDO:0015924", + "drug": "macitentan", + "drug_mesh": "CHEBI:76607", + "drugbank": "DB:DB08932" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:76607", + "target": "UniProt:P25101" + }, + { + "key": "decreases activity of", + "source": "CHEBI:76607", + "target": "UniProt:P24530" + }, + { + "key": "capable of", + "source": "UniProt:P25101", + "target": "GO:0042310" + }, + { + "key": "capable of", + "source": "UniProt:P24530", + "target": "GO:0042310" + }, + { + "key": "has phenotype", + "source": "GO:0042310", + "target": "MONDO:0005044" + }, + { + "key": "manifestation of", + "source": "MONDO:0005044", + "target": "MONDO:0015924" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C533860", + "label": "Drug", + "name": "macitentan" + }, + { + "id": "UniProt:P25101", + "label": "Protein", + "name": "Endothelin-1 receptor" + }, + { + "id": "UniProt:P24530", + "label": "Protein", + "name": "Endothelin receptor type B" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "Vasoconstriction" + }, + { + "id": "HP:0000822", + "label": "PhenotypicFeature", + "name": "Hypertension" + }, + { + "id": "MESH:D000081029", + "label": "Disease", + "name": "Pulmonary arterial hypertension" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08932#BE0000521" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06767_MESH_D003371_1", + "disease": "Cough", + "disease_mesh": "HP:0012735", + "drug": "ammonium chloride", + "drug_mesh": "PUBCHEM.COMPOUND:25517", + "drugbank": "DB:DB06767" + }, + "links": [ + { + "key": "interacts with", + "source": "PUBCHEM.COMPOUND:25517", + "target": "UBERON:0000410" + }, + { + "key": "correlated with", + "source": "UBERON:0000410", + "target": "GO:0070254" + }, + { + "key": "exacerbates", + "source": "GO:0070254", + "target": "HP:0031245" + }, + { + "key": "treats", + "source": "HP:0031245", + "target": "HP:0012735" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000643", + "label": "Drug", + "name": "ammonium chloride" + }, + { + "id": "UBERON:0000410", + "label": "GrossAnatomicalStructure", + "name": "bronchial mucosa" + }, + { + "id": "GO:0070254", + "label": "BiologicalProcess", + "name": "Mucus secretion" + }, + { + "id": "HP:0031245", + "label": "PhenotypicFeature", + "name": "Productive cough" + }, + { + "id": "MESH:D003371", + "label": "Disease", + "name": "Cough" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06767", + "https://pubchem.ncbi.nlm.nih.gov/compound/Ammonium-chloride", + "https://mavyn.in/webapp/pdf/googledrive/nigel-slater-vgw/ammonium-chloride-uses-in-cough-syrup-b03c77" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06767_MESH_D003139_1", + "disease": "Common cold", + "disease_mesh": "MONDO:0005709", + "drug": "ammonium chloride", + "drug_mesh": "PUBCHEM.COMPOUND:25517", + "drugbank": "DB:DB06767" + }, + "links": [ + { + "key": "interacts with", + "source": "PUBCHEM.COMPOUND:25517", + "target": "UBERON:0000410" + }, + { + "key": "correlated with", + "source": "UBERON:0000410", + "target": "GO:0070254" + }, + { + "key": "exacerbates", + "source": "GO:0070254", + "target": "HP:0031245" + }, + { + "key": "treats", + "source": "HP:0031245", + "target": "MONDO:0005709" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000643", + "label": "Drug", + "name": "ammonium chloride" + }, + { + "id": "UBERON:0000410", + "label": "GrossAnatomicalStructure", + "name": "bronchial mucosa" + }, + { + "id": "GO:0070254", + "label": "BiologicalProcess", + "name": "Mucus secretion" + }, + { + "id": "HP:0031245", + "label": "PhenotypicFeature", + "name": "Productive cough" + }, + { + "id": "MESH:D003139", + "label": "Disease", + "name": "Common cold" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06767", + "https://pubchem.ncbi.nlm.nih.gov/compound/Ammonium-chloride", + "https://mavyn.in/webapp/pdf/googledrive/nigel-slater-vgw/ammonium-chloride-uses-in-cough-syrup-b03c77" + ] + }, + { + "comment": "Contraindicated. As per drugbank sodium fluoride is being used to prevent dental caries and tooth decay. The literature evidence suggests that sodium fluoride causes vitamin defeciency", + "directed": true, + "graph": { + "_id": "DB09325_MESH_D001361_1", + "disease": "Vitamin deficiency", + "disease_mesh": "MONDO:0024298", + "drug": "sodium fluoride", + "drug_mesh": "PUBCHEM.COMPOUND:5235", + "drugbank": "DB:DB09325" + }, + "links": [ + { + "key": "contraindicated for", + "source": "PUBCHEM.COMPOUND:5235", + "target": "MONDO:0024298" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D012969", + "label": "Drug", + "name": "sodium fluoride" + }, + { + "id": "MESH:D001361", + "label": "Disease", + "name": "Vitamin deficiency" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09325", + "https://www.sciencedirect.com/science/article/abs/pii/S0736574815300630" + ] + }, + { + "comment": "The exact mechanism of artemisinin action is not completely understood, It was proposed to generate free-radicals due to its unique structure endoperoxide bridge. The MoA proposed here is the one of the drug target identified for artemisinin mode of action with solid experimental evidence.", + "directed": true, + "graph": { + "_id": "DB13132_MESH_D016778_1", + "disease": "Falciparum malaria", + "disease_mesh": "MONDO:0005920", + "drug": "artemisinin", + "drug_mesh": "CHEBI:223316", + "drugbank": "DB:DB13132" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:223316", + "target": "CHEBI:207229" + }, + { + "key": "decreases activity of", + "source": "CHEBI:207229", + "target": "UniProt:Q8I3Z5" + }, + { + "key": "part of", + "source": "UniProt:Q8I3Z5", + "target": "taxonomy:5833" + }, + { + "key": "causes", + "source": "taxonomy:5833", + "target": "MONDO:0005920" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C031327", + "label": "Drug", + "name": "artemisinin" + }, + { + "id": "CHEBI:207229", + "label": "ChemicalSubstance", + "name": "dihydroartemisinin" + }, + { + "id": "UniProt:Q8I3Z5", + "label": "Protein", + "name": "Translationally controlled tumor protein (TCTP) homolog" + }, + { + "id": "taxonomy:5833", + "label": "OrganismTaxon", + "name": "Plasmodium falciparum" + }, + { + "id": "MESH:D016778", + "label": "Disease", + "name": "Falciparum malaria" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB13132", + "https://link.springer.com/article/10.1007%2Fs00709-015-0805-6", + "https://en.wikipedia.org/wiki/Artemisinin" + ] + }, + { + "comment": "gabapentin enacarbil is a prodrug of gabapentin, it's physiological effects are the same as gabapentin", + "directed": true, + "graph": { + "_id": "DB08872_MESH_D051474_2", + "disease": "Postherpetic neuralgia", + "disease_mesh": "MONDO:0041052", + "drug": "gabapentin enacarbil", + "drug_mesh": "CHEBI:68840", + "drugbank": "DB:DB08872" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:68840", + "target": "CHEBI:42797" + }, + { + "key": "decreases activity of", + "source": "CHEBI:42797", + "target": "UniProt:Q9NY47" + }, + { + "key": "located in", + "source": "UniProt:Q9NY47", + "target": "GO:0098793" + }, + { + "key": "participates in", + "source": "GO:0098793", + "target": "GO:0070509" + }, + { + "key": "participates in", + "source": "GO:0070509", + "target": "GO:0007269" + }, + { + "key": "participates in", + "source": "GO:0007269", + "target": "HP:0012531" + }, + { + "key": "correlated with", + "source": "HP:0012531", + "target": "MONDO:0041052" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C493250", + "label": "Drug", + "name": "Gabapentin enacarbil" + }, + { + "id": "CHEBI:42797", + "label": "ChemicalSubstance", + "name": "Gabapentin" + }, + { + "id": "UniProt:Q9NY47", + "label": "Protein", + "name": "Voltage-dependent calcium channel subunit alpha-2/delta-2" + }, + { + "id": "GO:0098793", + "label": "CellularComponent", + "name": "Presynapse" + }, + { + "id": "GO:0070509", + "label": "BiologicalProcess", + "name": "Calcium ion import" + }, + { + "id": "GO:0007269", + "label": "BiologicalProcess", + "name": "Neurotransmitter release" + }, + { + "id": "HP:0012531", + "label": "PhenotypicFeature", + "name": "Pain" + }, + { + "id": "MESH:D051474", + "label": "Disease", + "name": "Postherpetic neuralgia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08872#BE0000691", + "https://paindr.com/comparing-gabapentin-to-pregabalin-for-neuropathic-pain", + "https://bjanaesthesia.org/article/S0007-0912(18)30234-4/pdf" + ] + }, + { + "comment": "gabapentin enacarbil is a prodrug of gabapentin, it's physiological effects are the same as gabapentin", + "directed": true, + "graph": { + "_id": "DB08872_MESH_D012148_2", + "disease": "Restless legs", + "disease_mesh": "MONDO:0005391", + "drug": "gabapentin enacarbil", + "drug_mesh": "CHEBI:68840", + "drugbank": "DB:DB08872" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:68840", + "target": "CHEBI:42797" + }, + { + "key": "decreases activity of", + "source": "CHEBI:42797", + "target": "UniProt:Q9NY47" + }, + { + "key": "located in", + "source": "UniProt:Q9NY47", + "target": "GO:0098793" + }, + { + "key": "participates in", + "source": "GO:0098793", + "target": "GO:0070509" + }, + { + "key": "participates in", + "source": "GO:0070509", + "target": "GO:0007269" + }, + { + "key": "participates in", + "source": "GO:0007269", + "target": "HP:0012514" + }, + { + "key": "correlated with", + "source": "HP:0012514", + "target": "MONDO:0005391" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C493250", + "label": "Drug", + "name": "Gabapentin enacarbil" + }, + { + "id": "CHEBI:42797", + "label": "ChemicalSubstance", + "name": "Gabapentin" + }, + { + "id": "UniProt:Q9NY47", + "label": "Protein", + "name": "Voltage-dependent calcium channel subunit alpha-2/delta-2" + }, + { + "id": "GO:0098793", + "label": "CellularComponent", + "name": "Presynapse" + }, + { + "id": "GO:0070509", + "label": "BiologicalProcess", + "name": "Calcium ion import" + }, + { + "id": "GO:0007269", + "label": "BiologicalProcess", + "name": "Neurotransmitter release" + }, + { + "id": "HP:0012514", + "label": "PhenotypicFeature", + "name": "Lower limb pain" + }, + { + "id": "MESH:D012148", + "label": "Disease", + "name": "Restless legs" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB08872#BE0000691", + "https://bjanaesthesia.org/article/S0007-0912(18)30234-4/pdf" + ] + }, + { + "comment": "Progesterone is often prescribed in combination with estradiol component for atrophic vaginitis.", + "directed": true, + "graph": { + "_id": "DB00396_MESH_D059268_1", + "disease": "Atrophic vaginitis", + "disease_mesh": "MONDO:0001410", + "drug": "Progesterone", + "drug_mesh": "CHEBI:17026", + "drugbank": "DB:DB00396" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:17026", + "target": "UniProt:P06401" + }, + { + "key": "participates in", + "source": "UniProt:P06401", + "target": "GO:0050847" + }, + { + "key": "treats", + "source": "GO:0050847", + "target": "MONDO:0001410" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011374", + "label": "Drug", + "name": "Progesterone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "GO:0050847", + "label": "BiologicalProcess", + "name": "Progesterone receptor signaling pathway" + }, + { + "id": "MESH:D059268", + "label": "Disease", + "name": "Atrophic vaginitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00396#BE0000557", + "https://www.sciencedirect.com/science/article/abs/pii/S0378512296010870" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00396_MESH_D008796_1", + "disease": "Dysfunctional uterine bleeding", + "disease_mesh": "HP:0100608", + "drug": "Progesterone", + "drug_mesh": "CHEBI:17026", + "drugbank": "DB:DB00396" + }, + "links": [ + { + "key": "increases activity of", + "source": "DB:DB00396", + "target": "UniProt:P06401" + }, + { + "key": "participates in", + "source": "UniProt:P06401", + "target": "GO:0050847" + }, + { + "key": "negatively regulates", + "source": "GO:0050847", + "target": "GO:0050673" + }, + { + "key": "located in", + "source": "GO:0050673", + "target": "UBERON:0001295" + }, + { + "key": "correlated with", + "source": "UBERON:0001295", + "target": "HP:0030126" + }, + { + "key": "causes", + "source": "HP:0030126", + "target": "HP:0100608" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB00396", + "label": "Drug", + "name": "Progesterone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "GO:0050847", + "label": "BiologicalProcess", + "name": "Progesterone receptor signaling pathway" + }, + { + "id": "UBERON:0001295", + "label": "GrossAnatomicalStructure", + "name": "Endometrium" + }, + { + "id": "HP:0030126", + "label": "PhenotypicFeature", + "name": "Abnormality of the endometrium" + }, + { + "id": "GO:0050673", + "label": "BiologicalProcess", + "name": "Epithelial cell proliferation" + }, + { + "id": "MESH:D008796", + "label": "Disease", + "name": "Dysfunctional uterine bleeding" + } + ], + "reference": [ + "https://pubmed.ncbi.nlm.nih.gov/8671392/", + "https://go.drugbank.com/drugs/DB00396#BE0000557" + ] + }, + { + "comment": "Progesterone is prescribed in combination with estradiol as a hormonemtherapy during menopause to prevent menopausal flushing and in this case estradiol is the acive drug, while progesterone is added for the protection of the endometrium. Please refer to this curation DB00783_MESH_D019584_1 for MoA.", + "directed": true, + "graph": { + "_id": "DB00396_MESH_D019584_1", + "disease": "Menopausal flushing", + "disease_mesh": "HP:0031217", + "drug": "Progesterone", + "drug_mesh": "CHEBI:17026", + "drugbank": "DB:DB00396" + }, + "links": [ + { + "key": "treats", + "source": "DB:DB00396", + "target": "HP:0031217" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB00396", + "label": "Drug", + "name": "Progesterone" + }, + { + "id": "MESH:D019584", + "label": "Disease", + "name": "Menopausal flushing" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00396#BE0000557" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00396_MESH_D004715_1", + "disease": "Endometriosis", + "disease_mesh": "MONDO:0005133", + "drug": "Progesterone", + "drug_mesh": "CHEBI:17026", + "drugbank": "DB:DB00396" + }, + "links": [ + { + "key": "increases activity of", + "source": "DB:DB00396", + "target": "UniProt:P06401" + }, + { + "key": "participates in", + "source": "UniProt:P06401", + "target": "GO:0050847" + }, + { + "key": "negatively regulates", + "source": "GO:0050847", + "target": "GO:0050673" + }, + { + "key": "located in", + "source": "GO:0050673", + "target": "UBERON:0001295" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001295", + "target": "MONDO:0005133" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB00396", + "label": "Drug", + "name": "Progesterone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "GO:0050847", + "label": "BiologicalProcess", + "name": "Progesterone receptor signaling pathway" + }, + { + "id": "UBERON:0001295", + "label": "GrossAnatomicalStructure", + "name": "Endometrium" + }, + { + "id": "GO:0050673", + "label": "BiologicalProcess", + "name": "Epithelial cell proliferation" + }, + { + "id": "MESH:D004715", + "label": "Disease", + "name": "Endometriosis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Endometriosis", + "https://go.drugbank.com/drugs/DB00396#BE0000557" + ] + }, + { + "comment": "Progesterone is usually prescribed in combination with estradiol for a treatment of postmenopausal osteoporosis. Please refer to this curation DB00783_MESH_D015663_1 for MoA.", + "directed": true, + "graph": { + "_id": "DB00396_MESH_D015663_1", + "disease": "Postmenopausal osteoporosis", + "disease_mesh": "MONDO:0008159", + "drug": "Progesterone", + "drug_mesh": "CHEBI:17026", + "drugbank": "DB:DB00396" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:17026", + "target": "MONDO:0008159" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011374", + "label": "Drug", + "name": "Progesterone" + }, + { + "id": "MESH:D015663", + "label": "Disease", + "name": "Postmenopausal osteoporosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00396#BE0000557", + "https://pubmed.ncbi.nlm.nih.gov/29962257/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00396_MESH_D016889_1", + "disease": "Endometrial carcinoma", + "disease_mesh": "MONDO:0021251", + "drug": "Progesterone", + "drug_mesh": "CHEBI:17026", + "drugbank": "DB:DB00396" + }, + "links": [ + { + "key": "increases activity of", + "source": "DB:DB00396", + "target": "UniProt:P06401" + }, + { + "key": "participates in", + "source": "UniProt:P06401", + "target": "GO:0050847" + }, + { + "key": "negatively regulates", + "source": "GO:0050847", + "target": "GO:0008283" + }, + { + "key": "located in", + "source": "GO:0008283", + "target": "UBERON:0001295" + }, + { + "key": "positively correlated with", + "source": "UBERON:0001295", + "target": "MONDO:0021251" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB00396", + "label": "Drug", + "name": "Progesterone" + }, + { + "id": "UniProt:P06401", + "label": "Protein", + "name": "Progesterone receptor" + }, + { + "id": "GO:0050847", + "label": "BiologicalProcess", + "name": "Progesterone receptor signaling pathway" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "Cell population proliferation" + }, + { + "id": "UBERON:0001295", + "label": "GrossAnatomicalStructure", + "name": "Endometrium" + }, + { + "id": "MESH:D016889", + "label": "Disease", + "name": "Endometrial carcinoma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00396#BE0000557", + "https://en.wikipedia.org/wiki/Endometrial_cancer" + ] + }, + { + "comment": "Zafirlukast is an oral leukotriene receptor antagonist (LTRA) for the maintenance treatment of asthma, often used in conjunction with an inhaled steroid and/or long-acting bronchodilator.", + "directed": true, + "graph": { + "_id": "DB00549_MESH_D001249_1", + "disease": "Asthma", + "disease_mesh": "MONDO:0004979", + "drug": "zafirlukast", + "drug_mesh": "CHEBI:10100", + "drugbank": "DB:DB00549" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:10100", + "target": "UniProt:Q9Y271" + }, + { + "key": "participates in", + "source": "UniProt:Q9Y271", + "target": "GO:0001631" + }, + { + "key": "positively regulates", + "source": "GO:0001631", + "target": "GO:0006939" + }, + { + "key": "located in", + "source": "GO:0006939", + "target": "UBERON:0002185" + }, + { + "key": "location of", + "source": "UBERON:0002185", + "target": "MONDO:0004979" + }, + { + "key": "participates in", + "source": "GO:0001631", + "target": "GO:0006954" + }, + { + "key": "causes", + "source": "GO:0006954", + "target": "MONDO:0004979" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C062735", + "label": "Drug", + "name": "Zafirlukast" + }, + { + "id": "UniProt:Q9Y271", + "label": "Protein", + "name": "Cysteinyl leukotriene receptor 1" + }, + { + "id": "GO:0001631", + "label": "MolecularActivity", + "name": "Cysteinyl leukotriene receptor activity" + }, + { + "id": "GO:0006939", + "label": "BiologicalProcess", + "name": "Smooth muscle contraction" + }, + { + "id": "UBERON:0002185", + "label": "GrossAnatomicalStructure", + "name": "Bronchus" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "Inflammatory response" + }, + { + "id": "MESH:D001249", + "label": "Disease", + "name": "Asthma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00549" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00940_MESH_D014549_1", + "disease": "Urinary incontinence", + "disease_mesh": "HP:0000020", + "drug": "methanthelinium", + "drug_mesh": "MESH:C084588", + "drugbank": "DB:DB00940" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C084588", + "target": "InterPro:IPR000995" + }, + { + "key": "negatively regulates", + "source": "InterPro:IPR000995", + "target": "GO:0014832" + }, + { + "key": "positively correlated with", + "source": "GO:0014832", + "target": "GO:0060073" + }, + { + "key": "positively correlated with", + "source": "GO:0060073", + "target": "HP:0000020" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C084588", + "label": "Drug", + "name": "Methanthelinium" + }, + { + "id": "InterPro:IPR000995", + "label": "GeneFamily", + "name": "Muscarinic acetylcholine receptor family" + }, + { + "id": "GO:0014832", + "label": "BiologicalProcess", + "name": "Urinary bladder smooth muscle contraction" + }, + { + "id": "GO:0060073", + "label": "BiologicalProcess", + "name": "Micturition" + }, + { + "id": "MESH:D014549", + "label": "Disease", + "name": "Urinary incontinence" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00940", + "https://en.wikipedia.org/wiki/Urinary_incontinence" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00940_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MONDO:0004247", + "drug": "methanthelinium", + "drug_mesh": "MESH:C084588", + "drugbank": "DB:DB00940" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C084588", + "target": "InterPro:IPR000995" + }, + { + "key": "participates in", + "source": "InterPro:IPR000995", + "target": "GO:0001699" + }, + { + "key": "increases abundance of", + "source": "GO:0001699", + "target": "MESH:D005744" + }, + { + "key": "contributes to", + "source": "MESH:D005744", + "target": "MONDO:0004247" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C084588", + "label": "Drug", + "name": "Methanthelinium" + }, + { + "id": "InterPro:IPR000995", + "label": "GeneFamily", + "name": "Muscarinic acetylcholine receptor family" + }, + { + "id": "GO:0001699", + "label": "BiologicalProcess", + "name": "Acetylcholine-induced gastric acid secretion" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric acid" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00940", + "https://en.wikipedia.org/wiki/Methantheline" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00940_MESH_D013276_1", + "disease": "Gastric ulcer", + "disease_mesh": "MONDO:0001126", + "drug": "methanthelinium", + "drug_mesh": "MESH:C084588", + "drugbank": "DB:DB00940" + }, + "links": [ + { + "key": "decreases activity of", + "source": "MESH:C084588", + "target": "InterPro:IPR000995" + }, + { + "key": "participates in", + "source": "InterPro:IPR000995", + "target": "GO:0001699" + }, + { + "key": "increases abundance of", + "source": "GO:0001699", + "target": "MESH:D005744" + }, + { + "key": "contributes to", + "source": "MESH:D005744", + "target": "MONDO:0001126" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C084588", + "label": "Drug", + "name": "Methanthelinium" + }, + { + "id": "InterPro:IPR000995", + "label": "GeneFamily", + "name": "Muscarinic acetylcholine receptor family" + }, + { + "id": "GO:0001699", + "label": "BiologicalProcess", + "name": "Acetylcholine-induced gastric acid secretion" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric acid" + }, + { + "id": "MESH:D013276", + "label": "Disease", + "name": "Gastric ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00940", + "https://en.wikipedia.org/wiki/Methantheline" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01257_MESH_D006457_1", + "disease": "Paroxysmal nocturnal hemoglobinuria", + "disease_mesh": "MONDO:0100244", + "drug": "eculizumab", + "drug_mesh": "UNII:A3ULP0F556", + "drugbank": "DB:DB01257" + }, + "links": [ + { + "key": "decreases activity of", + "source": "UNII:A3ULP0F556", + "target": "UniProt:P01031" + }, + { + "key": "participates in", + "source": "UniProt:P01031", + "target": "GO:0006956" + }, + { + "key": "contributes to", + "source": "GO:0006956", + "target": "MONDO:0003664" + }, + { + "key": "manifestation of", + "source": "MONDO:0003664", + "target": "MONDO:0100244" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C481642", + "label": "Drug", + "name": "Eculizumab" + }, + { + "id": "UniProt:P01031", + "label": "Protein", + "name": "Complement C5" + }, + { + "id": "GO:0006956", + "label": "BiologicalProcess", + "name": "Complement activation" + }, + { + "id": "HP:0001878", + "label": "PhenotypicFeature", + "name": "Hemolytic anemia" + }, + { + "id": "MESH:D006457", + "label": "Disease", + "name": "Paroxysmal nocturnal hemoglobinuria" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Paroxysmal_nocturnal_hemoglobinuria", + "https://go.drugbank.com/drugs/DB01257#BE0000855" + ] + }, + { + "comment": "No evidence found for MoA of citric acid treating pain.", + "directed": true, + "graph": { + "_id": "DB04272_MESH_D010146_1", + "disease": "Pain", + "disease_mesh": "HP:0012531", + "drug": "citric acid", + "drug_mesh": "CHEBI:30769", + "drugbank": "DB:DB04272" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:30769", + "target": "HP:0012531" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D019343", + "label": "Drug", + "name": "Citric acid" + }, + { + "id": "MESH:D010146", + "label": "Disease", + "name": "Pain" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04272" + ] + }, + { + "comment": "No evidence found for MoA of citric acid treating headache disorders.", + "directed": true, + "graph": { + "_id": "DB04272_MESH_D020773_1", + "disease": "Headache disorder", + "disease_mesh": "MONDO:0021146", + "drug": "citric acid", + "drug_mesh": "CHEBI:30769", + "drugbank": "DB:DB04272" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:30769", + "target": "MONDO:0021146" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D019343", + "label": "Drug", + "name": "Citric acid" + }, + { + "id": "MESH:D020773", + "label": "Disease", + "name": "Headache disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04272" + ] + }, + { + "comment": "No evidence found for MoA of citric acid treating indigestion.", + "directed": true, + "graph": { + "_id": "DB04272_MESH_D004415_1", + "disease": "Indigestion", + "disease_mesh": "MONDO:0002268", + "drug": "citric acid", + "drug_mesh": "CHEBI:30769", + "drugbank": "DB:DB04272" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:30769", + "target": "MONDO:0002268" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D019343", + "label": "Drug", + "name": "Citric acid" + }, + { + "id": "MESH:D004415", + "label": "Disease", + "name": "Indigestion" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04272" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06168_MESH_D054078_1", + "disease": "Deficiency of mevalonate kinase", + "disease_mesh": "MONDO:0017708", + "drug": "canakinumab", + "drug_mesh": "UNII:37CQ2C7X93", + "drugbank": "DB:DB06168" + }, + "links": [ + { + "key": "decreases activity of", + "source": "UNII:37CQ2C7X93", + "target": "UniProt:P01584" + }, + { + "key": "positively regulates", + "source": "UniProt:P01584", + "target": "HP:0001945" + }, + { + "key": "positively regulates", + "source": "UniProt:P01584", + "target": "GO:0006954" + }, + { + "key": "manifestation of", + "source": "HP:0001945", + "target": "MONDO:0017708" + }, + { + "key": "occurs in", + "source": "GO:0006954", + "target": "MONDO:0017708" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C541220", + "label": "Drug", + "name": "Canakinumab" + }, + { + "id": "UniProt:P01584", + "label": "Protein", + "name": "Interleukin-1 beta" + }, + { + "id": "HP:0001945", + "label": "PhenotypicFeature", + "name": "Fever" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "Inflammatory response" + }, + { + "id": "MESH:D054078", + "label": "Disease", + "name": "Deficiency of mevalonate kinase" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06168", + "https://en.wikipedia.org/wiki/Mevalonate_kinase_deficiency#Treatment" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06168_MESH_D015210_1", + "disease": "Articular gout", + "disease_mesh": "MONDO:0005393", + "drug": "canakinumab", + "drug_mesh": "UNII:37CQ2C7X93", + "drugbank": "DB:DB06168" + }, + "links": [ + { + "key": "decreases activity of", + "source": "UNII:37CQ2C7X93", + "target": "UniProt:P01584" + }, + { + "key": "positively regulates", + "source": "UniProt:P01584", + "target": 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"links": [ + { + "key": "decreases activity of", + "source": "UNII:37CQ2C7X93", + "target": "UniProt:P01584" + }, + { + "key": "positively regulates", + "source": "UniProt:P01584", + "target": "HP:0001945" + }, + { + "key": "positively regulates", + "source": "UniProt:P01584", + "target": "GO:0006954" + }, + { + "key": "manifestation of", + "source": "HP:0001945", + "target": "MONDO:0016168" + }, + { + "key": "has phenotype", + "source": "GO:0006954", + "target": "HP:0005059" + }, + { + "key": "manifestation of", + "source": "HP:0005059", + "target": "MONDO:0016168" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C541220", + "label": "Drug", + "name": "Canakinumab" + }, + { + "id": "UniProt:P01584", + "label": "Protein", + "name": "Interleukin-1 beta" + }, + { + "id": "HP:0001945", + "label": "PhenotypicFeature", + "name": "Fever" + }, + { + "id": "HP:0005059", + "label": "PhenotypicFeature", + "name": "Arthralgia/arthritis" + }, + { + "id": "GO:0006954", + "label": 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Both are withdrawn from the US market (https://en.wikipedia.org/wiki/Alatrofloxacin).", + "directed": true, + "graph": { + "_id": "DB09335_MESH_D014552_1", + "disease": "Urinary tract infectious disease", + "disease_mesh": "MONDO:0100338", + "drug": "alatrofloxacin", + "drug_mesh": "UNII:7QVV6I50DT", + "drugbank": "DB:DB09335" + }, + "links": [ + { + "key": "has metabolite", + "source": "UNII:7QVV6I50DT", + "target": "DB:DB00685" + }, + { + "key": "negatively regulates", + "source": "DB:DB00685", + "target": "InterPro:IPR035516" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR035516", + "target": "GO:0006265" + }, + { + "key": "in taxon", + "source": "GO:0006265", + "target": "taxonomy:562" + }, + { + "key": "causes", + "source": "taxonomy:562", + "target": "MONDO:0100338" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C106856", + "label": "Drug", + "name": "alatrofloxacin" + }, + { + "id": "DB:DB00685", + "label": "ChemicalSubstance", + "name": "Trovafloxacin" + }, + { + "id": "InterPro:IPR035516", + "label": "GeneFamily", + "name": "DNA gyrase/topoisomerase IV, subunit A, C-terminal" + }, + { + "id": "GO:0006265", + "label": "BiologicalProcess", + "name": "DNA topological change" + }, + { + "id": "taxonomy:562", + "label": "OrganismTaxon", + "name": "Escherichia coli" + }, + { + "id": "MESH:D014552", + "label": "Disease", + "name": "Urinary tract infectious disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09335", + "https://go.drugbank.com/drugs/DB00685", + "https://en.wikipedia.org/wiki/Trovafloxacin" + ] + }, + { + "comment": "Alatrofloxacin is a prodrug of trovafloxacin (https://meshb.nlm.nih.gov/record/ui?ui=C106856). 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"DB00774_MESH_D004487_1", + "disease": "Edema", + "disease_mesh": "HP:0000969", + "drug": "hydroflumethiazide", + "drug_mesh": "CHEBI:5784", + "drugbank": "DB:DB00774" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:5784", + "target": "UniProt:P55017" + }, + { + "key": "positively regulates", + "source": "UniProt:P55017", + "target": "GO:0070294" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": "GO:0003092", + "target": "HP:0000969" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D006857", + "label": "Drug", + "name": "hydroflumethiazide" + }, + { + "id": "UniProt:P55017", + "label": "Protein", + "name": "Solute carrier family 12 member 3" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "renal sodium ion absorption" + }, + { + "id": "GO:0003092", + "label": "BiologicalProcess", + "name": "renal water retention" + }, + { + "id": "MESH:D004487", + "label": "Disease", + "name": "Edema" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1763/" + ] + }, + { + "comment": "The hypotensive effects of hydroflumethiazide and other thiazides are not necessarily due to their diuretic activity (https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2904515/#S1title). The exact mechanism is yet not fully understood.", + "directed": true, + "graph": { + "_id": "DB00774_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MONDO:0005044", + "drug": "hydroflumethiazide", + "drug_mesh": "CHEBI:5784", + "drugbank": "DB:DB00774" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:5784", + "target": "UniProt:P55017" + }, + { + "key": "positively regulates", + "source": "UniProt:P55017", + "target": "GO:0070294" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": "GO:0003092", + "target": "HP:0033533" + }, + { + "key": "positively correlated with", + "source": "HP:0033533", + "target": "HP:0032263" + }, + { + "key": "decreases activity of", + "source": "CHEBI:5784", + "target": "UniProt:P00918" + }, + { + "key": "positively regulates", + "source": "UniProt:P00918", + "target": "GO:0038166" + }, + { + "key": "positively correlated with", + "source": "GO:0038166", + "target": "GO:0042310" + }, + { + "key": "positively correlated with", + "source": "GO:0042310", + "target": "HP:0032263" + }, + { + "key": "positively regulates", + "source": "CHEBI:5784", + "target": "UniProt:Q12791" + }, + { + "key": "positively regulates", + "source": "UniProt:Q12791", + "target": "GO:0060087" + }, + { + "key": "negatively correlated with", + "source": "GO:0060087", + "target": "HP:0032263" + }, + { + "key": "manifestation of", + "source": "HP:0032263", + "target": "MONDO:0005044" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D006857", + "label": "Drug", + "name": "hydroflumethiazide" + }, + { + "id": "UniProt:P55017", + "label": "Protein", + "name": "Solute carrier family 12 member 3" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "renal sodium ion absorption" + }, + { + "id": "GO:0003092", + "label": "BiologicalProcess", + "name": "renal water retention" + }, + { + "id": "HP:0033533", + "label": "PhenotypicFeature", + "name": "Increased cardiac output" + }, + { + "id": "UniProt:Q12791", + "label": "Protein", + "name": "Calcium-activated potassium channel subunit alpha-1" + }, + { + "id": "UniProt:P00918", + "label": "Protein", + "name": "Carbonic anhydrase 2" + }, + { + "id": "GO:0060087", + "label": "BiologicalProcess", + "name": "relaxation of vascular associated smooth muscle" + }, + { + "id": "GO:0038166", + "label": "BiologicalProcess", + "name": "angiotensin-activated signaling pathway" + }, + { + "id": "GO:0042310", + "label": "BiologicalProcess", + "name": "vasoconstriction" + }, + { + "id": "HP:0032263", + "label": "PhenotypicFeature", + "name": "Increased blood pressure" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00774#pharmacodynamics", + "https://go.drugbank.com/drugs/DB00774#BE0000553", + "https://en.wikipedia.org/wiki/Category:Carbonic_anhydrase_inhibitors", + "https://go.drugbank.com/drugs/DB00774#BE0000267", + "https://pubchem.ncbi.nlm.nih.gov/compound/3647#section=Mechanism-of-Action" + ] + }, + { + "comment": "Diphenoxylic acid (or difenoxin) is the pharmacologically active metabolite of diphenoxylate (https://pubmed.ncbi.nlm.nih.gov/3682841/), being 5 times more potent (https://pharmaceutical-journal.com/article/ld/understanding-the-chemical-basis-of-drug-stability-and-degradation). Diphenoxylate is rapidly metabolized to difenoxin (https://en.wikipedia.org/wiki/Diphenoxylate#Pharmacology). It's been suggested that difenoxin may regulate non-opioid receptor pathways as well (https://go.drugbank.com/drugs/DB01501#mechanism-of-action).", + "directed": true, + "graph": { + "_id": "DB01081_MESH_D003967_1", + "disease": "Diarrhea", + "disease_mesh": "MONDO:0001673", + "drug": "diphenoxylate", + "drug_mesh": "CHEBI:4639", + "drugbank": "DB:DB01081" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:4639", + "target": "DB:DB01501" + }, + { + "key": "increases activity of", + "source": "DB:DB01501", + "target": "UniProt:P35372" + }, + { + "key": "negatively regulates", + "source": "UniProt:P35372", + "target": "GO:0120054" + }, + { + "key": "positively correlated with", + "source": "GO:0120054", + "target": "MONDO:0001673" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D004157", + "label": "Drug", + "name": "diphenoxylate" + }, + { + "id": "DB:DB01501", + "label": "ChemicalSubstance", + "name": "Difenoxin" + }, + { + "id": "UniProt:P35372", + "label": "Protein", + "name": "Mu-type opioid receptor" + }, + { + "id": "GO:0120054", + "label": "BiologicalProcess", + "name": "intestinal motility" + }, + { + "id": "MESH:D003967", + "label": "Disease", + "name": "Diarrhea" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01081", + "https://www.ebi.ac.uk/chembldb/index.php/compound/inspect/CHEMBL1201294" + ] + }, + { + "comment": "Note that DrugCentral only lists Congestive heart failure as indications for this drug, whereas other sources include edema, hypertension e ascites (https://drugs.ncats.io/drug/MR40VT1L8Z#general).", + "directed": true, + "graph": { + "_id": "DB08961_MESH_D006333_1", + "disease": "Congestive heart failure", + "disease_mesh": "MONDO:0005252", + "drug": "azosemide", + "drug_mesh": "CHEBI:31248", + "drugbank": "DB:DB08961" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:31248", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": 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"UniProt:Q5L478", + "target": "GO:0003968" + }, + { + "key": "in taxon", + "source": "GO:0003968", + "target": "taxonomy:11103" + }, + { + "key": "causes", + "source": "taxonomy:11103", + "target": "MONDO:0005354" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C586541", + "label": "Drug", + "name": "ledipasvir" + }, + { + "id": "UniProt:Q5L478", + "label": "Protein", + "name": "Nonstructural protein 5A" + }, + { + "id": "GO:0003968", + "label": "MolecularActivity", + "name": "RNA-directed 5'-3' RNA polymerase activity" + }, + { + "id": "taxonomy:11103", + "label": "OrganismTaxon", + "name": "Hepacivirus C" + }, + { + "id": "MESH:D019698", + "label": "Disease", + "name": "Chronic hepatitis C" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09027", + "https://en.wikipedia.org/wiki/Ledipasvir#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00335_MESH_D009203_1", + "disease": "Myocardial infarction", + "disease_mesh": 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Tridihexethyl is no longer available in the US market.", + "directed": true, + "graph": { + "_id": "DB00505_MESH_D010437_1", + "disease": "Peptic ulcer", + "disease_mesh": "MONDO:0004247", + "drug": "Tridihexethyl", + "drug_mesh": "CHEBI:9701", + "drugbank": "DB:DB00505" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:9701", + "target": "UniProt:P20309" + }, + { + "key": "participates in", + "source": "UniProt:P20309", + "target": "GO:0001699" + }, + { + "key": "increases abundance of", + "source": "GO:0001699", + "target": "MESH:D005744" + }, + { + "key": "positively regulates", + "source": "MESH:D005744", + "target": "InterPro:IPR034162" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR034162", + "target": "MONDO:0004247" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005386", + "label": "Drug", + "name": "Tridihexethyl" + }, + { + "id": "UniProt:P20309", + "label": "Protein", + "name": "Muscarinic acetylcholine receptor M3" + }, + { + "id": "GO:0001699", + "label": "BiologicalProcess", + "name": "Acetylcholine-induced gastric acid secretion" + }, + { + "id": "MESH:D005744", + "label": "ChemicalSubstance", + "name": "Gastric acid" + }, + { + "id": "InterPro:IPR034162", + "label": "GeneFamily", + "name": "Pepsin catalytic domain" + }, + { + "id": "MESH:D010437", + "label": "Disease", + "name": "Peptic ulcer" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00505" + ] + }, + { + "comment": "Withdrawn. Tridihexethyl is no longer available in the US market.", + "directed": true, + "graph": { + "_id": "DB00505_MESH_D013276_1", + "disease": "Gastric ulcer", + "disease_mesh": "MONDO:0001126", + "drug": "Tridihexethyl", + "drug_mesh": "CHEBI:9701", + "drugbank": "DB:DB00505" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:9701", + "target": "UniProt:P20309" + }, + { + "key": "participates in", + "source": "UniProt:P20309", + "target": "GO:0001699" + }, + { + "key": "increases abundance of", + "source": "GO:0001699", + "target": "MESH:D005744" + }, + { + "key": "positively regulates", + "source": "MESH:D005744", + "target": "InterPro:IPR034162" + }, + { + "key": "positively correlated with", + "source": "InterPro:IPR034162", + "target": "MONDO:0001126" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C005386", + "label": "Drug", + "name": "Tridihexethyl" + }, + { + "id": "UniProt:P20309", + "label": "Protein", + "name": "Muscarinic acetylcholine 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"https://en.wikipedia.org/wiki/Organophosphate_poisoning#Signs_and_symptoms" + ] + }, + { + "comment": "Trioxsalen is a psoralen derivative that has been used in combination with UV light to treat vitiligo, but has been discontinued by its manufacturer.", + "directed": true, + "graph": { + "_id": "DB04571_MESH_D014820_1", + "disease": "Vitiligo", + "disease_mesh": "MONDO:0008661", + "drug": "trioxsalen", + "drug_mesh": "CHEBI:28329", + "drugbank": "DB:DB04571" + }, + "links": [ + { + "key": "disrupts", + "source": "CHEBI:28329", + "target": "CHEBI:16991" + }, + { + "key": "participates in", + "source": "CHEBI:16991", + "target": "GO:0006915" + }, + { + "key": "treats", + "source": "GO:0006915", + "target": "MONDO:0008661" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014307", + "label": "Drug", + "name": "Trioxsalen" + }, + { + "id": "MESH:D004247", + "label": "ChemicalSubstance", + "name": "DNA" + }, + { + "id": "GO:0006915", + "label": "BiologicalProcess", + "name": 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}, + { + "key": "negatively correlated with", + "source": "HP:0004396", + "target": "MONDO:0011122" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002745", + "label": "Drug", + "name": "chlorphentermine" + }, + { + "id": "UniProt:P31645", + "label": "Protein", + "name": "Sodium-dependent serotonin transporter" + }, + { + "id": "GO:0001820", + "label": "BiologicalProcess", + "name": "serotonin secretion" + }, + { + "id": "HP:0004396", + "label": "PhenotypicFeature", + "name": "Poor appetite" + }, + { + "id": "MESH:D009765", + "label": "Disease", + "name": "Obesity" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Chlorphentermine", + "https://en.wikipedia.org/wiki/Serotonin_releasing_agent#Pharmaceutical_drugs" + ] + }, + { + "comment": "The exact mechanism of action and the target of this drug is unknown. It's been withdrawn in most countries in the early 1970s.", + "directed": true, + "graph": { + "_id": "DB04823_MESH_D003248_1", + "disease": "Constipation", + "disease_mesh": "MONDO:0002203", + "drug": "oxyphenisatine", + "drug_mesh": null, + "drugbank": "DB:DB04823" + }, + "links": [ + { + "key": "positively regulates", + "source": "DB:DB04823", + "target": "GO:0120054" + }, + { + "key": "negatively correlated with", + "source": "GO:0120054", + "target": "MONDO:0002203" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_names": [ + "oxyphenisatin" + ], + "id": "DB:DB04823", + "label": "Drug", + "name": "oxyphenisatine" + }, + { + "id": "GO:0120054", + "label": "BiologicalProcess", + "name": "intestinal motility" + }, + { + "id": "MESH:D003248", + "label": "Disease", + "name": "Constipation" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04823", + "https://pubchem.ncbi.nlm.nih.gov/compound/31315#section=Pharmacology-and-Biochemistry" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB05829_MESH_D007011_1", + "disease": "Hypoparathyroidism", + "disease_mesh": "MONDO:0001220", + "drug": "parathyroid hormone", + "drug_mesh": "PUBCHEM.COMPOUND:129631922", + "drugbank": "DB:DB05829" + }, + "links": [ + { + "key": "positively regulates", + "source": "PUBCHEM.COMPOUND:129631922", + "target": "UniProt:Q03431" + }, + { + "key": "regulates", + "source": "UniProt:Q03431", + "target": "GO:0055074" + }, + { + "key": "negatively correlated with", + "source": "GO:0055074", + "target": "HP:0004363" + }, + { + "key": "manifestation of", + "source": "HP:0004363", + "target": "MONDO:0001220" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010281", + "label": "Drug", + "name": "parathyroid hormone" + }, + { + "id": "UniProt:Q03431", + "label": "Protein", + "name": "Parathyroid hormone/parathyroid hormone-related peptide receptor" + }, + { + "id": "GO:0055074", + "label": "BiologicalProcess", + "name": "calcium ion homeostasis" + }, + { + "id": "HP:0004363", + "label": "PhenotypicFeature", + "name": "Abnormal circulating calcium concentration" + }, + { + "id": "MESH:D007011", + "label": "Disease", + "name": "Hypoparathyroidism" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL2108078/", + "https://go.drugbank.com/drugs/DB05829", + "https://en.wikipedia.org/wiki/Recombinant_human_parathyroid_hormone#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Parathyroid_hormone_receptor" + ] + }, + { + "comment": "There is very little information on this drug; it's known that is part of a class of antithyroid preparations. It's in Phase 0 of clinical trials, aka research/experimental phase as per Jun 2021.", + "directed": true, + "graph": { + "_id": "DB07637_MESH_D006980_1", + "disease": "Hyperthyroidism", + "disease_mesh": "MONDO:0004425", + "drug": "dibromotyrosine", + "drug_mesh": null, + "drugbank": "DB:DB07637" + }, + "links": [ + { + "key": "negatively regulates", + "source": "DB:DB07637", + "target": "GO:0006590" + }, + { + "key": "positively correlated with", + "source": "GO:0006590", + "target": "MONDO:0004425" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "DB:DB07637", + "label": "Drug", + "name": "dibromotyrosine" + }, + { + "id": "GO:0006590", + "label": "BiologicalProcess", + "name": "thyroid hormone generation" + }, + { + "id": "MESH:D006980", + "label": "Disease", + "name": "Hyperthyroidism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB07637", + "https://en.wikipedia.org/wiki/Dibromotyrosine", + "https://en.wikipedia.org/wiki/Antithyroid_agent#Mechanism_of_action" + ] + }, + { + "comment": "Octinoxate is a sunscreen agent found in sunscreens that absorbs UV rays.", + "directed": true, + "graph": { + "_id": "DB09496_MESH_D008548_1", + "disease": "Chloasma", + "disease_mesh": "MONDO:0000736", + "drug": "octinoxate", + "drug_mesh": "PUBCHEM.COMPOUND:69733950", + "drugbank": "DB:DB09496" + }, + "links": [ + { + "key": "prevents", + "source": "PUBCHEM.COMPOUND:69733950", + "target": "GO:0043479" + }, + { + "key": "negatively correlated with", + "source": "PUBCHEM.COMPOUND:69733950", + "target": "MONDO:0019289" + }, + { + "key": "positively correlated with", + "source": "GO:0043479", + "target": "MONDO:0000736" + }, + { + "key": "positively correlated with", + "source": "MONDO:0019289", + "target": "MONDO:0000736" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_names": [ + "Octyl methoxycinnamate", + "ethylhexyl methoxycinnamate" + ], + "id": "MESH:C516303", + "label": "Drug", + "name": "octinoxate" + }, + { + "id": "GO:0043479", + "label": 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"https://en.wikipedia.org/wiki/Cardiac_arrest", + "https://go.drugbank.com/drugs/DB00258", + "https://pubmed.ncbi.nlm.nih.gov/3752763/", + "https://pubmed.ncbi.nlm.nih.gov/3526886/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00258_MESH_D006996_1", + "disease": "Hypocalcemia", + "disease_mesh": "HP:0002901", + "drug": "calcium acetate", + "drug_mesh": "PUBCHEM.COMPOUND:6116", + "drugbank": "DB:DB00258" + }, + "links": [ + { + "key": "increases activity of", + "source": "PUBCHEM.COMPOUND:6116", + "target": "UniProt:P41180" + }, + { + "key": "increases abundance of", + "source": "PUBCHEM.COMPOUND:6116", + "target": "CHEBI:22984" + }, + { + "key": "positively regulates", + "source": "UniProt:P41180", + "target": "GO:0055074" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:22984", + "target": "HP:0002901" + }, + { + "key": "negatively correlated with", + "source": "GO:0055074", + "target": "HP:0002901" + } + ], + "multigraph": true, + "nodes": [ + { + "id": 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"reference": [ + "https://go.drugbank.com/drugs/DB00145" + ] + }, + { + "comment": "No evidence found to support allergic rhinitis treatment with a glycine.", + "directed": true, + "graph": { + "_id": "DB00145_MESH_D065631_1", + "disease": "Allergic rhinitis", + "disease_mesh": "MONDO:0011786", + "drug": "glycine", + "drug_mesh": "CHEBI:15428", + "drugbank": "DB:DB00145" + }, + "links": [ + { + "key": "treats", + "source": "CHEBI:15428", + "target": "MONDO:0011786" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D005998", + "label": "Drug", + "name": "Glycine" + }, + { + "id": "MESH:D065631", + "label": "Disease", + "name": "Allergic rhinitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00145" + ] + }, + { + "comment": "No evidence found to support common cold treatment with a glycine.", + "directed": true, + "graph": { + "_id": "DB00145_MESH_D003139_1", + "disease": "Common cold", + "disease_mesh": "MONDO:0005709", + "drug": "glycine", + "drug_mesh": 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"UniProt:P10826" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10276", + "target": "GO:0008283" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P13631", + "target": "GO:0008283" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10826", + "target": "GO:0008283" + }, + { + "key": "correlated with", + "source": "GO:0008283", + "target": "GO:0043476" + }, + { + "key": "positively correlated with", + "source": "GO:0043476", + "target": "MONDO:0019289" + }, + { + "key": "manifestation of", + "source": "MONDO:0019289", + "target": "MONDO:0000736" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014212", + "label": "Drug", + "name": "tretinoin" + }, + { + "id": "UniProt:P10276", + "label": "Protein", + "name": "Retinoic acid receptor alpha" + }, + { + "id": "UniProt:P10826", + "label": "Protein", + "name": "Retinoic acid receptor beta" + }, + { + "id": "UniProt:P13631", + "label": "Protein", + "name": "Retinoic acid receptor gamma" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "GO:0043476", + "label": "BiologicalProcess", + "name": "pigment accumulation" + }, + { + "id": "HP:0000953", + "label": "PhenotypicFeature", + "name": "Hyperpigmentation of the skin" + }, + { + "id": "MESH:D008548", + "label": "Disease", + "name": "Chloasma" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00755", + "https://en.wikipedia.org/wiki/Tretinoin#Side_effects", + "https://en.wikipedia.org/wiki/Melasma#Signs_and_symptoms" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00755_MESH_D015473_1", + "disease": "Acute promyelocytic leukemia, FAB M3", + "disease_mesh": "MONDO:0012883", + "drug": "tretinoin", + "drug_mesh": "CHEBI:15367", + "drugbank": "DB:DB00755" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:15367", + "target": "UniProt:P10276" + }, + { + "key": "increases activity of", + "source": "CHEBI:15367", + "target": "UniProt:P13631" + }, + { + "key": "increases activity of", + "source": "CHEBI:15367", + "target": "UniProt:P10826" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10276", + "target": "GO:0008283" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P13631", + "target": "GO:0008283" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P10826", + "target": "GO:0008283" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": "MONDO:0012883" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014212", + "label": "Drug", + "name": "tretinoin" + }, + { + "id": "UniProt:P10276", + "label": "Protein", + "name": "Retinoic acid receptor alpha" + }, + { + "id": "UniProt:P10826", + "label": "Protein", + "name": "Retinoic acid receptor beta" + }, + { + "id": "UniProt:P13631", + "label": "Protein", + "name": "Retinoic acid receptor gamma" + }, + { + "id": "GO:0008283", + "label": "BiologicalProcess", + "name": "cell population proliferation" + }, + { + "id": "MESH:D015473", + "label": "Disease", + "name": "Acute promyelocytic leukemia, FAB M3" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00755", + "https://en.wikipedia.org/wiki/Tretinoin#Mechanism_of_action" + ] + }, + { + "comment": "Withdrawn. The target on the protein is not known (https://en.wikipedia.org/wiki/Tienilic_acid).", + "directed": true, + "graph": { + "_id": "DB04831_MESH_D006973_1", + "disease": "Hypertensive disorder", + "disease_mesh": "MONDO:0005044", + "drug": "tienilic acid", + "drug_mesh": "CHEBI:9590", + "drugbank": "DB:DB04831" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:9590", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": "GO:0003092", + "target": "HP:0032263" + }, + { + "key": "manifestation of", + "source": "HP:0032263", + "target": "MONDO:0005044" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D013989", + "label": "Drug", + "name": "tienilic acid" + }, + { + "id": "GO:0003092", + "label": "BiologicalProcess", + "name": "renal water retention" + }, + { + "id": "HP:0032263", + "label": "PhenotypicFeature", + "name": "Increased blood pressure" + }, + { + "id": "MESH:D006973", + "label": "Disease", + "name": "Hypertensive disorder" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04831" + ] + }, + { + "comment": "Sucroferric oxyhydroxide is an iron-based phosphate binder (https://en.wikipedia.org/wiki/Phosphate_binder).", + "directed": true, + "graph": { + "_id": "DB09146_MESH_D054559_1", + "disease": "Hyperphosphatemia", + "disease_mesh": "MONDO:0000328", + "drug": "sucroferric oxyhydroxide", + "drug_mesh": "PUBCHEM.COMPOUND:91663255", + "drugbank": "DB:DB09146" + }, + "links": [ + { + "key": "decreases abundance of", + "source": "PUBCHEM.COMPOUND:91663255", + "target": "CHEBI:18367" + }, + { + "key": "positively correlated with", + "source": "CHEBI:18367", + "target": "MONDO:0000328" + } + ], + "multigraph": true, + "nodes": [ + { + "alt_ids": [ + "MESH:C092844" + ], + "alt_names": [ + "ferric oxyhydroxide" + ], + "id": "MESH:C000599459", + "label": "Drug", + "name": "sucroferric oxyhydroxide" + }, + { + "id": "CHEBI:18367", + "label": "ChemicalSubstance", + "name": "phosphate(3\u2212)" + }, + { + "id": "MESH:D054559", + "label": "Disease", + "name": "Hyperphosphatemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09146", + "https://en.wikipedia.org/wiki/Hyperphosphatemia#Treatment" + ] + }, + { + "comment": "The anticonvulsant properties of nitrazepam and other benzodiazepines may be in part or entirely due to binding to voltage-dependent sodium channels rather than benzodiazepine receptors (https://en.wikipedia.org/wiki/Nitrazepam#Pharmacology), so both classes of targets have been annotated here. Although the parmachological action on UniProt:P35498 is unknown (https://go.drugbank.com/drugs/DB01595#BE0000141) it's believed that reduced sodium currents due to mutations in the gene that codes for UniProt:P35498 may cause hyper-excitability in GABAergic inhibitory interneurons, which would lead to seizures. In mouse models, a dramatic loss of sodium current in hippocampal GABAergic inhibitory interneurons would mean hypofunction of inhibitory circuits, leading to hyperexcitability of neuronal networks and result in epilepsy seizures (https://pubmed.ncbi.nlm.nih.gov/16921370/).", + "directed": true, + "graph": { + "_id": "DB01595_MESH_D004831_1", + "disease": "Myoclonic seizure", + "disease_mesh": "MONDO:0016022", + "drug": "nitrazepam", + "drug_mesh": "CHEBI:7581", + "drugbank": "DB:DB01595" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:7581", + "target": "InterPro:IPR006028" + }, + { + "key": "regulates", + "source": "CHEBI:7581", + "target": "UniProt:P35498" + }, + { + "key": "regulates", + "source": "UniProt:P35498", + "target": "GO:0019228" + }, + { + "key": "located in", + "source": "GO:0019228", + "target": "CL:0011005" + }, + { + "key": "negatively correlated with", + "source": "CL:0011005", + "target": "HP:0020219" + }, + { + "key": "negatively regulates", + "source": "InterPro:IPR006028", + "target": "HP:0020219" + }, + { + "key": "superclass of", + "source": "HP:0020219", + "target": "MONDO:0016022" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D009567", + "label": "Drug", + "name": "nitrazepam" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "UniProt:P35498", + "label": "Protein", + "name": "sodium voltage-gated channel alpha subunit 1" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "CL:0011005", + "label": "Cell", + "name": "GABAergic interneuron" + }, + { + "id": "HP:0020219", + "label": "PhenotypicFeature", + "name": "Motor seizure" + }, + { + "id": "MESH:D004831", + "label": "Disease", + "name": "Myoclonic seizure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01595", + "https://pubmed.ncbi.nlm.nih.gov/17505554/", + "https://en.wikipedia.org/wiki/Nav1.1#Function" + ] + }, + { + "comment": "The precise mechanism of action for thalidomide is unknown (https://en.wikipedia.org/wiki/Thalidomide#Pharmacology).", + "directed": true, + "graph": { + "_id": "DB01041_MESH_D009101_1", + "disease": "Multiple myeloma", + "disease_mesh": "MONDO:0009693", + "drug": "thalidomide", + "drug_mesh": "CHEBI:74947", + "drugbank": "DB:DB01041" + }, + "links": [ + { + "key": "increases abundance of", + "source": "CHEBI:74947", + "target": "CHEBI:26523" + }, + { + "key": "positively correlated with", + "source": "CHEBI:26523", + "target": "GO:0036473" + }, + { + "key": "negatively correlated with", + "source": "GO:0036473", + "target": "MONDO:0009693" + }, + { + "key": "decreases activity of", + "source": "CHEBI:74947", + "target": "UniProt:Q96SW2" + }, + { + "key": "positively regulates", + "source": "UniProt:Q96SW2", + "target": "GO:0016567" + }, + { + "key": "negatively correlated with", + "source": "GO:0016567", + "target": "GO:0051301" + }, + { + "key": "positively correlated with", + "source": "GO:0051301", + "target": "GO:0008283" + }, + { + "key": "decreases activity of", + "source": "CHEBI:74947", + "target": "UniProt:P01375" + }, + { + "key": "decreases activity of", + "source": "CHEBI:74947", + "target": "UniProt:P15692" + }, + { + "key": "positively regulates", + "source": "UniProt:P01375", + "target": "GO:0008283" + }, + { + "key": "positively regulates", + "source": "UniProt:P01375", + "target": "GO:0032635" + }, + { + "key": "positively regulates", + "source": "GO:0032635", + "target": "GO:0006954" + }, + { + "key": "positively regulates", + "source": "UniProt:P01375", + "target": "GO:0002534" + }, + { + "key": "positively regulates", + "source": "UniProt:P15692", + "target": "GO:0001525" + }, + { + "key": "positively correlated with", + "source": "GO:0001525", + "target": "MONDO:0009693" + }, + { + "key": "positively correlated with", + "source": "GO:0008283", + "target": 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}, + { + "id": "GO:0032635", + "label": "BiologicalProcess", + "name": "interleukin-6 production" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "CHEBI:26523", + "label": "ChemicalSubstance", + "name": "reactive oxygen species" + }, + { + "id": "GO:0036473", + "label": "BiologicalProcess", + "name": "cell death in response to oxidative stress" + }, + { + "id": "GO:0002534", + "label": "BiologicalProcess", + "name": "cytokine production involved in inflammatory response" + }, + { + "id": "MESH:D009101", + "label": "Disease", + "name": "Multiple myeloma" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Immunomodulatory_imide_drug#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Cereblon#Ubiquitination_and_role_in_development", + "https://pubmed.ncbi.nlm.nih.gov/14513045/", + "https://pubmed.ncbi.nlm.nih.gov/27260630/", + "https://go.drugbank.com/drugs/DB01041" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00103_MESH_D000795_1", + "disease": "Fabry's disease", + "disease_mesh": "MONDO:0010526", + "drug": "agalsidase beta", + "drug_mesh": "PUBCHEM.COMPOUND:52918379", + "drugbank": "DB:DB00103" + }, + "links": [ + { + "key": "chemically similar to", + "source": "PUBCHEM.COMPOUND:52918379", + "target": "UniProt:P06280" + }, + { + "key": "decreases abundance of", + "source": "UniProt:P06280", + "target": "CHEBI:24402" + }, + { + "key": "contributes to", + "source": "CHEBI:24402", + "target": "MONDO:0010526" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C459420", + "label": "Drug", + "name": "Agalsidase beta" + }, + { + "id": "UniProt:P06280", + "label": "Protein", + "name": "Alpha-galactosidase A" + }, + { + "id": "MESH:D006028", + "label": "ChemicalSubstance", + "name": "Glycosphingolipids" + }, + { + "id": "MESH:D000795", + "label": "Disease", + "name": "Fabry's disease" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Fabry_disease", + "https://go.drugbank.com/drugs/DB00103" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00242_MESH_D020529_1", + "disease": "Relapsing remitting multiple sclerosis", + "disease_mesh": "MONDO:0005314", + "drug": "cladribine", + "drug_mesh": "CHEBI:567361", + "drugbank": "DB:DB00242" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:567361", + "target": "CHEBI:172731" + }, + { + "key": "decreases activity of", + "source": "CHEBI:172731", + "target": "UniProt:P23921" + }, + { + "key": "decreases activity of", + "source": "CHEBI:172731", + "target": "UniProt:Q7LG56" + }, + { + "key": "decreases activity of", + "source": "CHEBI:172731", + "target": "UniProt:P31350" + }, + { + "key": "decreases activity of", + "source": "CHEBI:172731", + "target": "UniProt:P09884" + }, + { + "key": "decreases activity of", + "source": "CHEBI:172731", + "target": "UniProt:P56282" + }, + { + "key": "decreases activity of", + "source": "CHEBI:172731", + "target": "UniProt:Q9NRF9" + }, + { + "key": "decreases activity of", + "source": "CHEBI:172731", + "target": "UniProt:Q9NR33" + }, + { + "key": "disrupts", + "source": "CHEBI:172731", + "target": "CHEBI:16991" + }, + { + "key": "positively correlated with", + "source": "UniProt:P31350", + "target": "GO:0006260" + }, + { + "key": "positively correlated with", + "source": "UniProt:P23921", + "target": "GO:0006260" + }, + { + "key": "positively correlated with", + "source": "UniProt:Q7LG56", + "target": "GO:0006260" + }, + { + "key": "positively correlated with", + "source": "UniProt:P09884", + "target": "GO:0006260" + }, + { + "key": "positively correlated with", + "source": "UniProt:P56282", + "target": "GO:0006260" + }, + { + "key": "positively correlated with", + "source": "UniProt:Q9NRF9", + "target": "GO:0006260" + }, + { + "key": "positively correlated with", + "source": "UniProt:Q9NR33", + "target": "GO:0006260" + }, + { + "key": "precedes", + "source": "GO:0006260", + "target": "GO:0046651" + }, + { + "key": "participates in", + "source": "CHEBI:16991", + "target": "GO:0006260" + }, + { + "key": "occurs in", + "source": "GO:0046651", + "target": "MONDO:0005314" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D017338", + "label": "Drug", + "name": "Cladribine" + }, + { + "id": "CHEBI:172731", + "label": "ChemicalSubstance", + "name": "2-Chloro-2'-deoxyadenosine-5'-triphosphate" + }, + { + "id": "UniProt:P23921", + "label": "Protein", + "name": "Ribonucleoside-diphosphate reductase large subunit" + }, + { + "id": "UniProt:Q7LG56", + "label": "Protein", + "name": "Ribonucleoside-diphosphate reductase subunit M2 B" + }, + { + "id": "UniProt:P31350", + "label": "Protein", + "name": "Ribonucleoside-diphosphate reductase subunit M2" + }, + { + "id": "UniProt:P09884", + "label": "Protein", + "name": "DNA polymerase alpha catalytic subunit" + }, + { + "id": "UniProt:P56282", + "label": "Protein", + "name": "DNA polymerase epsilon subunit 2" + }, + { + "id": "UniProt:Q9NRF9", + "label": "Protein", + "name": "DNA polymerase epsilon subunit 3" + }, + { + "id": "UniProt:Q9NR33", + "label": "Protein", + "name": "DNA polymerase epsilon subunit 4" + }, + { + "id": "GO:0006260", + "label": "BiologicalProcess", + "name": "DNA replication" + }, + { + "id": "GO:0046651", + "label": "BiologicalProcess", + "name": "Lymphocyte proliferation" + }, + { + "id": "MESH:D004247", + "label": "ChemicalSubstance", + "name": "DNA" + }, + { + "id": "MESH:D020529", + "label": "Disease", + "name": "Relapsing remitting multiple sclerosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00242#BE0000546", + "https://en.wikipedia.org/wiki/Cladribine" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00242_MESH_D007943_1", + "disease": "Hairy cell leukemia", + "disease_mesh": "MONDO:0018935", + "drug": "cladribine", + "drug_mesh": "CHEBI:567361", + "drugbank": "DB:DB00242" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:567361", + "target": 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"_id": "DB09258_MESH_D020246_1", + "disease": "Deep venous thrombosis", + "disease_mesh": "MONDO:0008559", + "drug": "bemiparin", + "drug_mesh": "UNII:PUE0TO3XDR", + "drugbank": "DB:DB09258" + }, + "links": [ + { + "key": "decreases activity of", + "source": "UNII:PUE0TO3XDR", + "target": "UniProt:P00742" + }, + { + "key": "positively regulates", + "source": "UniProt:P00742", + "target": "GO:0072378" + }, + { + "key": "occurs in", + "source": "GO:0072378", + "target": "MONDO:0008559" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C411345", + "label": "Drug", + "name": "Bemiparin" + }, + { + "id": "UniProt:P00742", + "label": "Protein", + "name": "Coagulation factor X" + }, + { + "id": "GO:0072378", + "label": "BiologicalProcess", + "name": "Blood coagulation, fibrin clot formation" + }, + { + "id": "MESH:D020246", + "label": "Disease", + "name": "Deep venous thrombosis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09258" + ] + }, + { + "comment": "This drug is in Phase III clinial trials (as for June 2021).", + "directed": true, + "graph": { + "_id": "DB09258_MESH_D011655_1", + "disease": "Pulmonary embolism", + "disease_mesh": "MONDO:0005279", + "drug": "bemiparin", + "drug_mesh": "UNII:PUE0TO3XDR", + "drugbank": "DB:DB09258" + }, + "links": [ + { + "key": "decreases activity of", + "source": "UNII:PUE0TO3XDR", + "target": "UniProt:P00742" + }, + { + "key": "positively regulates", + "source": "UniProt:P00742", + "target": "GO:0072378" + }, + { + "key": "occurs in", + "source": "GO:0072378", + "target": "MONDO:0005279" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C411345", + "label": "Drug", + "name": "Bemiparin" + }, + { + "id": "UniProt:P00742", + "label": "Protein", + "name": "Coagulation factor X" + }, + { + "id": "GO:0072378", + "label": "BiologicalProcess", + "name": "Blood coagulation, fibrin clot formation" + }, + { + "id": "MESH:D011655", + "label": "Disease", + "name": "Pulmonary embolism" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09258" + ] + }, + { + "comment": "Alectinib is specifically used in the treatment of non-small cell lung cancer (NSCLC) expressing the ALK-EML4 (echinoderm microtubule-associated protein-like 4) fusion protein that causes proliferation of NSCLC cells.", + "directed": true, + "graph": { + "_id": "DB11363_MESH_D002289_1", + "disease": "Non-small cell lung cancer", + "disease_mesh": "MONDO:0005233", + "drug": "alectinib", + "drug_mesh": "CHEBI:90936", + "drugbank": "DB:DB11363" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:90936", + "target": "UniProt:Q9UM73" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9UM73", + "target": "reactome:R-HSA-9701898" + }, + { + "key": "positively regulates", + "source": "UniProt:Q9UM73", + "target": "reactome:R-HSA-109704" + }, + { + "key": "negatively regulates", + "source": "reactome:R-HSA-9701898", + "target": "GO:1904019" + }, + { + "key": "positively 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"name": "inflammatory response" + }, + { + "id": "MESH:D065631", + "label": "Disease", + "name": "Allergic rhinitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00318", + "https://en.wikipedia.org/wiki/Codeine#Mechanism_of_action", + "https://pubchem.ncbi.nlm.nih.gov/compound/5284371#section=Pharmacology" + ] + }, + { + "comment": "Opioid medications seem not to be used to treat this type of headache (https://en.wikipedia.org/wiki/Tension_headache#Episodic).", + "directed": true, + "graph": { + "_id": "DB00318_MESH_D018781_1", + "disease": "Tension-type headache", + "disease_mesh": "HP:0012228", + "drug": "codeine", + "drug_mesh": "CHEBI:16714", + "drugbank": "DB:DB00318" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:16714", + "target": "CHEBI:17303" + }, + { + "key": "increases activity of", + "source": "CHEBI:17303", + "target": "InterPro:IPR001418" + }, + { + "key": "participates in", + "source": "InterPro:IPR001418", + "target": 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"name": "Substance P" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D012220", + "label": "Disease", + "name": "Rhinitis" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00318", + "https://en.wikipedia.org/wiki/Codeine#Mechanism_of_action", + "https://pubchem.ncbi.nlm.nih.gov/compound/5284371#section=Pharmacology" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00318_MESH_D010146_1", + "disease": "Pain", + "disease_mesh": "HP:0012531", + "drug": "codeine", + "drug_mesh": "CHEBI:16714", + "drugbank": "DB:DB00318" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:16714", + "target": "CHEBI:17303" + }, + { + "key": "increases activity of", + "source": "CHEBI:17303", + "target": "InterPro:IPR001418" + }, + { + "key": "participates in", + "source": "InterPro:IPR001418", + "target": "reactome:R-HSA-418594" + }, + { + "key": "decreases abundance of", + "source": 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} + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00318", + "https://en.wikipedia.org/wiki/Codeine#Mechanism_of_action", + "https://pubchem.ncbi.nlm.nih.gov/compound/5284371#section=Pharmacology" + ] + }, + { + "comment": "Morphine and other opioids all seem to cause hyperthermia.", + "directed": true, + "graph": { + "_id": "DB00318_MESH_D005334_1", + "disease": "Fever", + "disease_mesh": "HP:0001945", + "drug": "codeine", + "drug_mesh": "CHEBI:16714", + "drugbank": "DB:DB00318" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:16714", + "target": "CHEBI:17303" + }, + { + "key": "contraindicated for", + "source": "CHEBI:17303", + "target": "HP:0001945" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003061", + "label": "Drug", + "name": "codeine" + }, + { + "id": "MESH:D009020", + "label": "ChemicalSubstance", + "name": "morphine" + }, + { + "id": "MESH:D005334", + "label": "Disease", + "name": "Fever" + } + ], + "reference": [ + "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5806778/", + "https://pubmed.ncbi.nlm.nih.gov/223174/", + "https://link.springer.com/chapter/10.1007/978-3-0348-7429-8_61" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00318_MESH_D003139_1", + "disease": "Common cold", + "disease_mesh": "MONDO:0005709", + "drug": "codeine", + "drug_mesh": "CHEBI:16714", + "drugbank": "DB:DB00318" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:16714", + "target": "CHEBI:17303" + }, + { + "key": "increases activity of", + "source": "CHEBI:17303", + "target": "InterPro:IPR001418" + }, + { + "key": "participates in", + "source": "InterPro:IPR001418", + "target": "reactome:R-HSA-418594" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418594", + "target": "CHEBI:80308" + }, + { + "key": "positively correlated with", + "source": "CHEBI:80308", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "HP:0002315" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "HP:0025095" + }, + { + "key": "manifestation of", + "source": "HP:0002315", + "target": "MONDO:0005709" + }, + { + "key": "manifestation of", + "source": "HP:0025095", + "target": "MONDO:0005709" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003061", + "label": "Drug", + "name": "codeine" + }, + { + "id": "MESH:D009020", + "label": "ChemicalSubstance", + "name": "morphine" + }, + { + "id": "InterPro:IPR001418", + "label": "GeneFamily", + "name": "Opioid receptor" + }, + { + "id": "reactome:R-HSA-418594", + "label": "Pathway", + "name": "G alpha (i) signalling events" + }, + { + "id": "MESH:D013373", + "label": "ChemicalSubstance", + "name": "Substance P" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "HP:0025095", + "label": "PhenotypicFeature", + "name": "Sneeze" + }, + { + "id": "HP:0002315", + "label": "PhenotypicFeature", + "name": "Headache" + }, + { + "id": "MESH:D003139", + "label": "Disease", + "name": "Common cold" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00318", + "https://en.wikipedia.org/wiki/Codeine#Mechanism_of_action", + "https://pubchem.ncbi.nlm.nih.gov/compound/5284371#section=Pharmacology", + "https://en.wikipedia.org/wiki/Common_cold" + ] + }, + { + "comment": "It is believed that the antitussive action of codeine works via stimulation of \u03bc-opioid receptors (https://s3-us-west-2.amazonaws.com/drugbank/cite_this/attachments/files/000/003/676/original/Codeine_FDA_label.pdf?1551131944).", + "directed": true, + "graph": { + "_id": "DB00318_MESH_D003371_1", + "disease": "Cough", + "disease_mesh": "HP:0012735", + "drug": "codeine", + "drug_mesh": "CHEBI:16714", + "drugbank": "DB:DB00318" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:16714", + "target": "CHEBI:17303" + }, + { + "key": "increases activity of", + "source": "CHEBI:17303", + "target": "InterPro:IPR001418" + }, + { + "key": "negatively correlated with", + "source": "InterPro:IPR001418", + "target": "GO:0060004" + }, + { + "key": "positively correlated with", + "source": "GO:0060004", + "target": "HP:0012735" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003061", + "label": "Drug", + "name": "codeine" + }, + { + "id": "MESH:D009020", + "label": "ChemicalSubstance", + "name": "morphine" + }, + { + "id": "InterPro:IPR001418", + "label": "GeneFamily", + "name": "Opioid receptor" + }, + { + "id": "GO:0060004", + "label": "BiologicalProcess", + "name": "reflex" + }, + { + "id": "MESH:D003371", + "label": "Disease", + "name": "Cough" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00318", + "https://en.wikipedia.org/wiki/Codeine#Mechanism_of_action", + "https://pubchem.ncbi.nlm.nih.gov/compound/5284371#section=Pharmacology", + "https://pubmed.ncbi.nlm.nih.gov/1852031/", + "https://pubmed.ncbi.nlm.nih.gov/17620111/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00318_MESH_D010612_1", + "disease": "Sore throat symptom", + "disease_mesh": "MONDO:0002258", + "drug": "codeine", + "drug_mesh": "CHEBI:16714", + "drugbank": "DB:DB00318" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:16714", + "target": "CHEBI:17303" + }, + { + "key": "increases activity of", + "source": "CHEBI:17303", + "target": "InterPro:IPR001418" + }, + { + "key": "participates in", + "source": "InterPro:IPR001418", + "target": "reactome:R-HSA-418594" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-418594", + "target": "CHEBI:80308" + }, + { + "key": "positively correlated with", + "source": "CHEBI:80308", + "target": "HP:0012531" + }, + { + "key": "manifestation of", + "source": "HP:0012531", + "target": "MONDO:0002258" + }, + { + "key": "decreases activity of", + "source": "InterPro:IPR001418", + "target": "GO:0019233" + }, + { + "key": "correlated with", + "source": "GO:0019233", + "target": "MONDO:0002258" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003061", + "label": "Drug", + "name": "codeine" + }, + { + "id": "MESH:D009020", + "label": "ChemicalSubstance", + "name": "morphine" + }, + { + "id": "InterPro:IPR001418", + "label": "GeneFamily", + "name": "Opioid receptor" + }, + { + "id": "reactome:R-HSA-418594", + "label": "Pathway", + "name": "G alpha (i) signalling events" + }, + { + "id": "MESH:D013373", + "label": "ChemicalSubstance", + "name": "Substance P" + }, + { + "id": "GO:0019233", + "label": "BiologicalProcess", + "name": "sensory perception of pain" + }, + { + "id": "HP:0012531", + "label": "PhenotypicFeature", + "name": "Pain" + }, + { + "id": "MESH:D010612", + "label": "Disease", + "name": "Sore throat symptom" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00318", + "https://en.wikipedia.org/wiki/Codeine#Mechanism_of_action", + "https://pubchem.ncbi.nlm.nih.gov/compound/5284371#section=Pharmacology" + ] + }, + { + "comment": "Mephenytoin is no longer available in the US or the UK (https://en.wikipedia.org/wiki/Mephenytoin).", + "directed": true, + "graph": { + "_id": "DB00532_MESH_D004827_1", + "disease": "Epilepsy", + "disease_mesh": "MONDO:0005027", + "drug": "mephenytoin", + "drug_mesh": "CHEBI:6757", + "drugbank": "DB:DB00532" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:6757", + "target": "InterPro:IPR001696" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061530" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061530", + "target": "HP:0020219" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0020219" + }, + { + "key": "negatively correlated with", + "source": "GO:0061535", + "target": "MESH:D000066829" + }, + { + "key": "negatively correlated with", + "source": "MESH:D000066829", + "target": "MONDO:0005027" + }, + { + "key": "positively correlated with", + "source": "HP:0020219", + "target": "MONDO:0005027" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008617", + "label": "Drug", + "name": "mephenytoin" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "GO:0061530", + "label": "BiologicalProcess", + "name": "aspartate secretion, neurotransmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0020219", + "label": "PhenotypicFeature", + "name": "Motor seizure" + }, + { + "id": "MESH:D000066829", + "label": "PhenotypicFeature", + "name": "Neuroprotection" + }, + { + "id": "MESH:D004827", + "label": "Disease", + "name": "Epilepsy" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00532", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL861/" + ] + }, + { + "comment": "The disease is also known as Epilepsies, Partia (https://meshb.nlm.nih.gov/record/ui?ui=D004828). Mephenytoin is no longer available in the US or the UK (https://en.wikipedia.org/wiki/Mephenytoin).", + "directed": true, + "graph": { + "_id": "DB00532_MESH_D004828_1", + "disease": "Localization-related epilepsy", + "disease_mesh": "MONDO:0005384", + "drug": "mephenytoin", + "drug_mesh": "CHEBI:6757", + "drugbank": "DB:DB00532" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:6757", + "target": "InterPro:IPR001696" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061530" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR001696", + "target": "GO:0061535" + }, + { + "key": "positively correlated with", + "source": "GO:0061530", + "target": "HP:0020219" + }, + { + "key": "positively correlated with", + "source": "GO:0061535", + "target": "HP:0020219" + }, + { + "key": "negatively correlated with", + "source": "GO:0061535", + "target": "MESH:D000066829" + }, + { + "key": "negatively correlated with", + "source": "MESH:D000066829", + "target": "MONDO:0005384" + }, + { + "key": "positively correlated with", + "source": "HP:0020219", + "target": "MONDO:0005384" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008617", + "label": "Drug", + "name": "mephenytoin" + }, + { + "id": "InterPro:IPR001696", + "label": "GeneFamily", + "name": "Voltage gated sodium channel, alpha subunit" + }, + { + "id": "GO:0061530", + "label": "BiologicalProcess", + "name": "aspartate secretion, neurotransmission" + }, + { + "id": "GO:0061535", + "label": "BiologicalProcess", + "name": "glutamate secretion, neurotransmission" + }, + { + "id": "HP:0020219", + "label": "PhenotypicFeature", + "name": "Motor seizure" + }, + { + "id": "MESH:D000066829", + "label": "PhenotypicFeature", + "name": "Neuroprotection" + }, + { + "id": "MESH:D004828", + "label": "Disease", + "name": "Localization-related epilepsy" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00532", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL861/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00887_MESH_D004487_1", + "disease": "Edema", + "disease_mesh": "HP:0000969", + "drug": "bumetanide", + "drug_mesh": "CHEBI:3213", + "drugbank": "DB:DB00887" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:3213", + "target": "UniProt:Q13621" + }, + { + "key": "positively regulates", + "source": "UniProt:Q13621", + "target": "GO:0070294" + }, + { + "key": "positively correlated with", + "source": "GO:0070294", + "target": "GO:0003092" + }, + { + "key": "positively correlated with", + "source": "GO:0003092", + "target": "HP:0000969" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D002034", + "label": "Drug", + "name": "bumetanide" + }, + { + "id": "UniProt:Q13621", + "label": "Protein", + "name": "Solute carrier family 12 member 1" + }, + { + "id": "GO:0070294", + "label": "BiologicalProcess", + "name": "renal sodium ion absorption" + }, + { + "id": "GO:0003092", + "label": "BiologicalProcess", + "name": "renal water retention" + }, + { + "id": "MESH:D004487", + "label": "Disease", + "name": "Edema" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1072/", + "https://en.wikipedia.org/wiki/Bumetanide#Mechanism_of_action", + "https://en.wikipedia.org/wiki/Loop_diuretic#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01083_MESH_D009765_1", + "disease": "Obesity", + "disease_mesh": "MONDO:0011122", + "drug": "orlistat", + "drug_mesh": "MESH:C055122", + "drugbank": "DB:DB01083" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C055122", + "target": "UniProt:P07098" + }, + { + "key": "negatively regulates", + "source": "MESH:C055122", + "target": "UniProt:P16233" + }, + { + "key": "positively regulates", + "source": "UniProt:P07098", + "target": "GO:0044241" + }, + { + "key": "positively regulates", + "source": "UniProt:P16233", + "target": "GO:0044241" + }, + { + "key": "positively correlated with", + "source": "GO:0044241", + "target": "HP:0004324" + }, + { + "key": "superclass of", + "source": "HP:0004324", + "target": "MONDO:0011122" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C055122", + "label": "Drug", + "name": "orlistat" + }, + { + "id": "UniProt:P07098", + "label": "Protein", + "name": "Gastric triacylglycerol lipase" + }, + { + "id": "UniProt:P16233", + "label": "Protein", + "name": "Pancreatic triacylglycerol lipase" + }, + { + "id": "GO:0044241", + "label": "BiologicalProcess", + "name": "lipid digestion" + }, + { + "id": "HP:0004324", + "label": "PhenotypicFeature", + "name": "Increased body weight" + }, + { + "id": "MESH:D009765", + "label": "Disease", + "name": "Obesity" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01083" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01177_MESH_D015470_1", + "disease": "Acute myeloid leukemia, disease", + "disease_mesh": "MONDO:0018874", + "drug": "idarubicin", + "drug_mesh": "CHEBI:42068", + "drugbank": "DB:DB01177" + }, + "links": [ + { + "key": "contributes to", + "source": "CHEBI:42068", + "target": "GO:0001207" + }, + { + "key": "negatively correlated with", + "source": "GO:0001207", + "target": "GO:0009299" + }, + { + "key": "positively correlated with", + "source": "GO:0009299", + "target": "HP:0031377" + }, + { + "key": "negatively regulates", + "source": "CHEBI:42068", + "target": "GO:0140014" + }, + { + "key": "positively correlated with", + "source": "GO:0140014", + "target": "HP:0031377" + }, + { + "key": "positively correlated with", + "source": "HP:0031377", + "target": "MONDO:0018874" + }, + { + "key": "decreases abundance of", + "source": "CHEBI:42068", + "target": "GO:0032993" + }, + { + "key": "has participant", + "source": "GO:0032993", + "target": "UniProt:P11388" + }, + { + "key": "positively correlated with", + "source": "UniProt:P11388", + "target": 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"histone displacement" + }, + { + "id": "GO:0009299", + "label": "BiologicalProcess", + "name": "mRNA transcription" + }, + { + "id": "UniProt:P11388", + "label": "Protein", + "name": "DNA topoisomerase 2-alpha" + }, + { + "id": "GO:0032993", + "label": "CellularComponent", + "name": "protein-DNA complex" + }, + { + "id": "MESH:D005609", + "label": "ChemicalSubstance", + "name": "Free Radicals" + }, + { + "id": "MESH:D004249", + "label": "BiologicalProcess", + "name": "DNA Damage" + }, + { + "id": "GO:0006260", + "label": "BiologicalProcess", + "name": "DNA replication" + }, + { + "id": "HP:0031377", + "label": "PhenotypicFeature", + "name": "Abnormal cell proliferation" + }, + { + "id": "GO:0006915", + "label": "BiologicalProcess", + "name": "apoptotic process" + }, + { + "id": "GO:0140014", + "label": "BiologicalProcess", + "name": "mitotic nuclear division" + }, + { + "id": "MESH:D015470", + "label": "Disease", + "name": "Acute myeloid leukemia, disease" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB01177", + "https://en.wikipedia.org/wiki/Idarubicin" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB01177_MESH_D015473_1", + "disease": "Acute promyelocytic leukemia, FAB M3", + "disease_mesh": "MONDO:0012883", + "drug": "idarubicin", + "drug_mesh": "CHEBI:42068", + "drugbank": "DB:DB01177" + }, + "links": [ + { + "key": "contributes to", + "source": "CHEBI:42068", + "target": "GO:0001207" + }, + { + "key": "negatively correlated with", + "source": "GO:0001207", + "target": "GO:0009299" + }, + { + "key": "positively correlated with", + "source": "GO:0009299", + "target": "HP:0031377" + }, + { + "key": "negatively regulates", + "source": "CHEBI:42068", + "target": "GO:0140014" + }, + { + "key": "positively correlated with", + "source": "GO:0140014", + "target": "HP:0031377" + }, + { + "key": "positively correlated with", + "source": "HP:0031377", + "target": "MONDO:0012883" + }, + { + "key": "decreases abundance of", + "source": "CHEBI:42068", 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impairment in Alzheimer's Disease is not fully understood. It's khown that acetylcholine producing neurons degenerate and it's believed that this cholinergic loss is correlated with cognitive impairment and a density of amyloid plaques (https://pubchem.ncbi.nlm.nih.gov/compound/9651#section=Mechanism-of-Action).", + "directed": true, + "graph": { + "_id": "DB00674_MESH_D000544_1", + "disease": "Alzheimer's disease", + "disease_mesh": "MONDO:0004975", + "drug": "galantamine", + "drug_mesh": "CHEBI:42944", + "drugbank": "DB:DB00674" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:42944", + "target": "UniProt:P22303" + }, + { + "key": "positively regulates", + "source": "UniProt:P22303", + "target": "GO:0006581" + }, + { + "key": "decreases abundance of", + "source": "GO:0006581", + "target": "CHEBI:15355" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:15355", + "target": "HP:0100543" + }, + { + "key": "manifestation of", + "source": "HP:0100543", + "target": "MONDO:0004975" + } + ], + "multigraph": 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Gimeracil's main role within Teysuno is to prevent the breakdown of Fluorouracil (5-FU), which helps to maintin high enough concentrations for sustained effect against cancer cells.", + "directed": true, + "graph": { + "_id": "DB09257_MESH_D013274_1", + "disease": "Malignant tumor of stomach", + "disease_mesh": "MONDO:0021085", + "drug": "gimeracil", + "drug_mesh": "CHEBI:31652", + "drugbank": "DB:DB09257" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:31652", + "target": "UniProt:Q12882" + }, + { + "key": "decreases abundance of", + "source": "UniProt:Q12882", + "target": "CHEBI:46345" + }, + { + "key": "treats", + "source": "CHEBI:46345", + "target": "MONDO:0021085" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C104201", + "label": "Drug", + "name": "Gimeracil" + }, + { + "id": "UniProt:Q12882", + "label": "Protein", + "name": "Dihydropyrimidine dehydrogenase" + }, + { + "id": "MESH:D005472", + "label": "Drug", + "name": "Fluorouracil" + }, + { + "id": "MESH:D013274", + "label": "Disease", + "name": "Malignant tumor of stomach" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09257#BE0000960" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB11888_MESH_D007251_1", + "disease": "Influenza", + "disease_mesh": "MONDO:0005812", + "drug": "laninamivir octanoate hydrate", + "drug_mesh": "CHEBI:177801", + "drugbank": "DB:DB11888" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:177801", + "target": "DB:DB12791" + }, + { + "key": "decreases activity of", + "source": "DB:DB12791", + "target": "UniProt:P03468" + }, + { + "key": "positively regulates", + "source": "UniProt:P03468", + "target": "GO:0019076" + }, + { + "key": "in taxon", + "source": "GO:0019076", + "target": "taxonomy:11320" + }, + { + "key": "causes", + "source": "taxonomy:11320", + "target": "MONDO:0005812" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C546918", + "label": "Drug", + "name": "Laninamivir octanoate hydrate" + }, + { + "id": "DB:DB12791", + "label": "Drug", + "name": "Laninamivir" + }, + { + "id": "UniProt:P03468", + "label": "Protein", + "name": "Neuraminidase" + }, + { + "id": "GO:0019076", + "label": "BiologicalProcess", + "name": "Viral release from host cell" + }, + { + "id": "taxonomy:11320", + "label": "OrganismTaxon", + "name": "Influenza A virus" + }, + { + "id": "MESH:D007251", + "label": "Disease", + "name": "Influenza" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL467058/", + "https://en.wikipedia.org/wiki/Discovery_and_development_of_neuraminidase_inhibitors#Laninamivir", + "https://go.drugbank.com/drugs/DB11888" + ] + }, + { + "comment": "Dextromethorphan's action on histamine receptors has been observed in rat tissues. Note that the drug is indicated in combination with other drugs such as brompheniramine and pseudoephedrine in the treatment of upper respiratory symptoms associated with allergies.", + "directed": true, + "graph": { + "_id": "DB00514_MESH_D012223_1", + "disease": "Vasomotor rhinitis", + "disease_mesh": "MONDO:0006004", + "drug": "dextromethorphan", + "drug_mesh": "CHEBI:4470", + "drugbank": "DB:DB00514" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:4470", + "target": "DB:DB14682" + }, + { + "key": "decreases activity of", + "source": "DB:DB14682", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "participates in", + "source": "GO:0004969", + "target": "GO:0042311" + }, + { + "key": "positively correlated with", + "source": "GO:0042311", + "target": "MONDO:0006004" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003915", + "label": "Drug", + "name": "dextromethorphan" + }, + { + "id": "DB:DB14682", + "label": "ChemicalSubstance", + "name": "Dextrorphan" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0004969", + "label": "MolecularActivity", + "name": "histamine receptor activity" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D012223", + "label": "Disease", + "name": "Vasomotor rhinitis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Dextromethorphan#Pharmacology" + ] + }, + { + "comment": "Dextromethorphan's action on histamine receptors has been observed in rat tissues. Note that the drug is indicated in combination with other drugs such as brompheniramine and pseudoephedrine in the treatment of upper respiratory symptoms associated with allergies.", + "directed": true, + "graph": { + "_id": "DB00514_MESH_D012912_1", + "disease": "Sneezing", + "disease_mesh": "HP:0025095", + "drug": "dextromethorphan", + "drug_mesh": "CHEBI:4470", + "drugbank": "DB:DB00514" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:4470", + "target": "DB:DB14682" + }, + { + "key": "decreases activity of", + "source": "DB:DB14682", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "participates in", + "source": "GO:0004969", + "target": "GO:0042311" + }, + { + "key": "positively correlated with", + "source": "GO:0042311", + "target": "HP:0025095" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003915", + "label": "Drug", + "name": "dextromethorphan" + }, + { + "id": "DB:DB14682", + "label": "ChemicalSubstance", + "name": "Dextrorphan" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0004969", + "label": "MolecularActivity", + "name": "histamine receptor activity" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D012912", + "label": "Disease", + "name": "Sneezing" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Dextromethorphan#Pharmacology" + ] + }, + { + "comment": "Dextromethorphan's action on histamine receptors has been observed in rat tissues. The drug is indicated in combination with other drugs such as brompheniramine and pseudoephedrine in the treatment of upper respiratory symptoms associated with allergies.", + "directed": true, + "graph": { + "_id": "DB00514_MESH_D065631_1", + "disease": "Allergic rhinitis", + "disease_mesh": "MONDO:0011786", + "drug": "dextromethorphan", + "drug_mesh": "CHEBI:4470", + "drugbank": "DB:DB00514" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:4470", + "target": "DB:DB14682" + }, + { + "key": "decreases activity of", + "source": "DB:DB14682", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "participates in", + "source": "GO:0004969", + "target": "GO:0042311" + }, + { + "key": "positively correlated with", + "source": "GO:0042311", + "target": "MONDO:0011786" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003915", + "label": "Drug", + "name": "dextromethorphan" + }, + { + "id": "DB:DB14682", + "label": "ChemicalSubstance", + "name": "Dextrorphan" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0004969", + "label": "MolecularActivity", + "name": "histamine receptor activity" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D065631", + "label": "Disease", + "name": "Allergic rhinitis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Dextromethorphan#Pharmacology" + ] + }, + { + "comment": "Dextromethorphan's action on histamine receptors has been observed in rat tissues. This drug is indicated in combination with other drugs such as brompheniramine and pseudoephedrine in the treatment of upper respiratory symptoms associated with allergies.", + "directed": true, + "graph": { + "_id": "DB00514_MESH_D012220_1", + "disease": "Rhinitis", + "disease_mesh": "MONDO:0003014", + "drug": "dextromethorphan", + "drug_mesh": "CHEBI:4470", + "drugbank": "DB:DB00514" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:4470", + "target": "DB:DB14682" + }, + { + "key": "decreases activity of", + "source": "DB:DB14682", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "participates in", + "source": "GO:0004969", + "target": "GO:0042311" + }, + { + "key": "positively correlated with", + "source": "GO:0042311", + "target": "MONDO:0003014" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003915", + "label": "Drug", + "name": "dextromethorphan" + }, + { + "id": "DB:DB14682", + "label": "ChemicalSubstance", + "name": "Dextrorphan" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0004969", + "label": "MolecularActivity", + "name": "histamine receptor activity" + }, + { + "id": "GO:0042311", + "label": "BiologicalProcess", + "name": "vasodilation" + }, + { + "id": "MESH:D012220", + "label": "Disease", + "name": "Rhinitis" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Dextromethorphan#Pharmacology" + ] + }, + { + "comment": "Dextromethorphan acts centrally in the cough center in the medulla to suppress cough (https://pubmed.ncbi.nlm.nih.gov/18294576/). The drug is indicated in combination with guaifenesin as an over the counter product to relieve a cough.", + "directed": true, + "graph": { + "_id": "DB00514_MESH_D003371_1", + "disease": "Cough", + "disease_mesh": "HP:0012735", + "drug": "dextromethorphan", + "drug_mesh": "CHEBI:4470", + "drugbank": "DB:DB00514" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:4470", + "target": "DB:DB14682" + }, + { + "key": "increases activity of", + "source": "DB:DB14682", + "target": "UniProt:Q99720" + }, + { + "key": "decreases activity of", + "source": "DB:DB14682", + "target": "UniProt:P32297" + }, + { + "key": "regulates", + "source": "UniProt:P32297", + "target": "GO:0006939" + }, + { + "key": "correlated with", + "source": "GO:0006939", + "target": "HP:0012735" + }, + { + "key": "negatively regulates", + "source": "UniProt:Q99720", + "target": "GO:0060004" + }, + { + "key": "positively correlated with", + "source": "GO:0060004", + "target": "HP:0012735" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003915", + "label": "Drug", + "name": "dextromethorphan" + }, + { + "id": "DB:DB14682", + "label": "ChemicalSubstance", + "name": "Dextrorphan" + }, + { + "id": "UniProt:Q99720", + "label": "Protein", + "name": "Sigma non-opioid intracellular receptor 1" + }, + { + "id": "UniProt:P32297", + "label": "Protein", + "name": "Neuronal acetylcholine receptor subunit alpha-3" + }, + { + "id": "GO:0006939", + "label": "BiologicalProcess", + "name": "smooth muscle contraction" + }, + { + "id": "GO:0060004", + "label": "BiologicalProcess", + "name": "reflex" + }, + { + "id": "MESH:D003371", + "label": "Disease", + "name": "Cough" + } + ], + "reference": [ + "https://pubchem.ncbi.nlm.nih.gov/compound/Dextromethorphan", + "https://www.sciencedirect.com/topics/medicine-and-dentistry/airway-smooth-muscle-contraction" + ] + }, + { + "comment": "Dextromethorphan's action on histamine receptors has been observed in rat tissues.", + "directed": true, + "graph": { + "_id": "DB00514_MESH_D003139_1", + "disease": "Common cold", + "disease_mesh": "MONDO:0005709", + "drug": "dextromethorphan", + "drug_mesh": "CHEBI:4470", + "drugbank": "DB:DB00514" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:4470", + "target": "DB:DB14682" + }, + { + "key": "decreases activity of", + "source": "DB:DB14682", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "participates in", + "source": "GO:0004969", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MONDO:0005709" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003915", + "label": "Drug", + "name": "dextromethorphan" + }, + { + "id": "DB:DB14682", + "label": "ChemicalSubstance", + "name": "Dextrorphan" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": 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in", + "source": "GO:0004969", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "HP:0001945" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003915", + "label": "Drug", + "name": "dextromethorphan" + }, + { + "id": "DB:DB14682", + "label": "ChemicalSubstance", + "name": "Dextrorphan" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0004969", + "label": "MolecularActivity", + "name": "histamine receptor activity" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D005334", + "label": "Disease", + "name": "Fever" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Dextromethorphan#Pharmacology" + ] + }, + { + "comment": "Dextromethorphan's action on histamine receptors has been observed in rat tissues.", + "directed": true, + "graph": { + "_id": "DB00514_MESH_D010612_1", + "disease": "Sore throat symptom", + "disease_mesh": "MONDO:0002258", + "drug": "dextromethorphan", + "drug_mesh": "CHEBI:4470", + "drugbank": "DB:DB00514" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:4470", + "target": "DB:DB14682" + }, + { + "key": "decreases activity of", + "source": "DB:DB14682", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "participates in", + "source": "GO:0004969", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "MONDO:0002258" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003915", + "label": "Drug", + "name": "dextromethorphan" + }, + { + "id": "DB:DB14682", + "label": "ChemicalSubstance", + "name": "Dextrorphan" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0004969", + "label": "MolecularActivity", + "name": "histamine receptor activity" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "MESH:D010612", + "label": "Disease", + "name": "Sore throat symptom" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Dextromethorphan#Pharmacology" + ] + }, + { + "comment": "Dextromethorphan's action on histamine receptors has been observed in rat tissues.", + "directed": true, + "graph": { + "_id": "DB00514_MESH_D020773_1", + "disease": "Headache disorder", + "disease_mesh": "MONDO:0021146", + "drug": "dextromethorphan", + "drug_mesh": "CHEBI:4470", + "drugbank": "DB:DB00514" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:4470", + "target": "DB:DB14682" + }, + { + "key": "decreases activity of", + "source": "DB:DB14682", + "target": "UniProt:P35367" + }, + { + "key": "positively regulates", + "source": "UniProt:P35367", + "target": "GO:0004969" + }, + { + "key": "participates in", + "source": "GO:0004969", + "target": "GO:0006954" + }, + { + "key": "positively correlated with", + "source": "GO:0006954", + "target": "HP:0012531" + }, + { + "key": "manifestation of", + "source": "HP:0012531", + "target": "MONDO:0021146" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003915", + "label": "Drug", + "name": "dextromethorphan" + }, + { + "id": "DB:DB14682", + "label": "ChemicalSubstance", + "name": "Dextrorphan" + }, + { + "id": "UniProt:P35367", + "label": "Protein", + "name": "Histamine H1 receptor" + }, + { + "id": "GO:0004969", + "label": "MolecularActivity", + "name": "histamine receptor activity" + }, + { + "id": "GO:0006954", + "label": "BiologicalProcess", + "name": "inflammatory response" + }, + { + "id": "HP:0012531", + "label": "PhenotypicFeature", + "name": "Pain" + }, + { + "id": "MESH:D020773", + "label": "Disease", + "name": "Headache disorder" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Dextromethorphan#Pharmacology" + ] + }, + { + "comment": "Methylphenobarbital is the N-methylated analogue of phenobarbital, therefore both have similar indications, therapeutic value, and tolerability.", + "directed": true, + "graph": { + "_id": "DB00849_MESH_D001007_1", + "disease": "Anxiety", + "disease_mesh": "MONDO:0011918", + "drug": "methylphenobarbital", + "drug_mesh": "CHEBI:6758", + "drugbank": "DB:DB00849" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:6758", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "positively correlated with", + "source": "GO:0022851", + "target": "GO:0060081" + }, + { + "key": "negatively correlated with", + "source": "GO:0060081", + "target": "GO:0007269" + }, + { + "key": "positively correlated with", + "source": "GO:0007269", + "target": "MONDO:0011918" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008618", + "label": "Drug", + "name": "methylphenobarbital" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "GO:0022851", + "label": "MolecularActivity", + "name": "GABA-gated chloride ion channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0007269", + "label": "BiologicalProcess", + "name": "neurotransmitter secretion" + }, + { + "id": "MESH:D001007", + "label": "Disease", + "name": "Anxiety" + } + ], + "reference": [ + "https://en.wikipedia.org/wiki/Methylphenobarbital", + "https://go.drugbank.com/drugs/DB00849", + "https://pubchem.ncbi.nlm.nih.gov/compound/8271#section=Mechanism-of-Action", + "https://en.wikipedia.org/wiki/Phenobarbital#Mechanism_of_action" + ] + }, + { + "comment": "Methylphenobarbital is the N-methylated analogue of phenobarbital, therefore both have similar indications, therapeutic value, and tolerability.", + 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tiuxetan is an Indium or yttrium conjugated murine IgG1 kappa monoclonal antibody directed against the CD20 antigen, The Fab segment of the antibody targets the CD20 epitope on B-cells, allowing the radioactive yttrium to destroy the cell via production of beta particles.", + "directed": true, + "graph": { + "_id": "DB00078_MESH_D008224_1", + "disease": "Follicular non-Hodgkin's lymphoma", + "disease_mesh": "MONDO:0018906", + "drug": "ibritumomab tiuxetan", + "drug_mesh": "PUBCHEM.COMPOUND:74890578", + "drugbank": "DB:DB00078" + }, + "links": [ + { + "key": "physically interacts with", + "source": "PUBCHEM.COMPOUND:74890578", + "target": "UniProt:P11836" + }, + { + "key": "positively regulates", + "source": "UniProt:P11836", + "target": "GO:0006959" + }, + { + "key": "coexists with", + "source": "PUBCHEM.COMPOUND:74890578", + "target": "MESH:D015021" + }, + { + "key": "produces", + "source": "MESH:D015021", + "target": "MESH:D001610" + }, + { + "key": "causes", + "source": 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Would have been an ideal node for this pair but could not be validated.", + "directed": true, + "graph": { + "_id": "DB00087_MESH_D020529_1", + "disease": "Relapsing remitting multiple sclerosis", + "disease_mesh": "MONDO:0005314", + "drug": "alemtuzumab", + "drug_mesh": "UNII:3A189DH42V", + "drugbank": "DB:DB00087" + }, + "links": [ + { + "key": "molecularly interacts with", + "source": "UNII:3A189DH42V", + "target": "UniProt:P31358" + }, + { + "key": "positively regulates", + "source": "UniProt:P31358", + "target": "GO:0006959" + }, + { + "key": "positively regulates", + "source": "GO:0006959", + "target": "GO:0001788" + }, + { + "key": "precedes", + "source": "GO:0001788", + "target": "GO:0008219" + }, + { + "key": "decreases abundance of", + "source": "GO:0008219", + "target": "CL:0001063" + }, + { + "key": "manifestation of", + "source": "CL:0001063", + "target": "MONDO:0005314" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C096529", + "label": "Drug", + "name": 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Both in vitro and in vivo studies seem to suggest acamprosate may interact with glutamate and GABA neurotransmitter systems centrally, and has led to the hypothesis that acamprosate restores this balance (https://pubchem.ncbi.nlm.nih.gov/compound/71158#section=Mechanism-of-Action). The drug may not an effective therapy if be used alone (https://en.wikipedia.org/wiki/Acamprosate#Pharmacodynamics). 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However it's not known the exact mechanisms by which (A) glucose deprivation cause ionic imbalance and at the same time sustain neuronal hyperexcitability (i.e., a status associated with higher metabolic demands); and (B) which reduced glucose metabolism can generate seizures while also being anticonvulsant (https://pubmed.ncbi.nlm.nih.gov/29143800/).", + "directed": true, + "graph": { + "_id": "DB09118_MESH_D004831_1", + "disease": "Myoclonic seizure", + "disease_mesh": "MONDO:0016022", + "drug": "stiripentol", + "drug_mesh": "CHEBI:228488", + "drugbank": "DB:DB09118" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:228488", + "target": "UniProt:P00338" + }, + { + "key": "positively correlated with", + "source": "CHEBI:228488", + "target": "MESH:D000066829" + }, + { + "key": "negatively correlated with", + "source": "MESH:D000066829", + "target": "MONDO:0016022" + }, + { + "key": "negatively regulates", + "source": "CHEBI:228488", + "target": "UniProt:P07195" + }, + { + "key": "positively regulates", + "source": "UniProt:P00338", + "target": "GO:0006090" + }, + { + "key": "positively regulates", + "source": "UniProt:P07195", + "target": "GO:0006090" + }, + { + "key": "regulates", + "source": "GO:0006090", + "target": "GO:0019228" + }, + { + "key": "regulates", + "source": "UniProt:P07195", + "target": "Pfam:PF01007" + }, + { + "key": "regulates", + "source": "UniProt:P00338", + "target": "Pfam:PF01007" + }, + { + "key": "regulates", + "source": "Pfam:PF01007", + "target": "GO:0019228" + }, + { + "key": "positively correlated with", + "source": "UniProt:P00338", + "target": "GO:0019228" + }, + { + "key": "positively correlated with", + "source": "UniProt:P07195", + "target": "GO:0019228" + }, + { + "key": "positively correlated with", + "source": "GO:0019228", + "target": "MONDO:0016022" + }, + { + "key": "increases abundance of", + "source": "CHEBI:228488", + "target": "CHEBI:16865" + }, + { + "key": "correlated with", + "source": "CHEBI:16865", + "target": "GO:0060077" + }, + { + "key": "negatively correlated with", + "source": "GO:0060077", + "target": "MONDO:0016022" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C021092", + "label": "Drug", + "name": "stiripentol" + }, + { + "id": "CHEBI:16865", + "label": "ChemicalSubstance", + "name": "\u03b3-aminobutyric acid" + }, + { + "id": "GO:0060077", + "label": "CellularComponent", + "name": "inhibitory synapse" + }, + { + "id": "UniProt:P00338", + "label": "Protein", + "name": "L-lactate dehydrogenase A chain" + }, + { + "id": "UniProt:P07195", + "label": "Protein", + "name": "L-lactate dehydrogenase B chain" + }, + { + "id": "GO:0006090", + "label": "BiologicalProcess", + "name": "pyruvate metabolic process" + }, + { + "id": "Pfam:PF01007", + "label": "GeneFamily", + "name": "Inward-rectifier potassium ion channel" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "MESH:D000066829", + "label": "BiologicalProcess", + "name": "Neuroprotection" + }, + { + "alt_names": [ + "Epilepsies, Myoclonic", + "Dravet Syndrome" + ], + "id": "MESH:D004831", + "label": "Disease", + "name": "Myoclonic seizure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB09118", + "https://en.wikipedia.org/wiki/Stiripentol#Pharmacology", + "https://pubmed.ncbi.nlm.nih.gov/28434133/", + "https://en.wikipedia.org/wiki/Potassium_channel" + ] + }, + { + "comment": "Both UniProt:Q9UL51 and UniProt:Q9Y3Q4 are slow sodium channels, also known as If channels, where 'f' stands for funny, as per the unusual properties compared with other current systems known at the time of their discovery. Note that out of the two proteins, UniProt:Q9Y3Q4 is the most highly expressed in sinoatrial node myocytes (https://pubmed.ncbi.nlm.nih.gov/17999560/).", + "directed": true, + "graph": { + "_id": "DB09083_MESH_D000787_1", + "disease": "Angina pectoris", + "disease_mesh": "HP:0001681", + "drug": "ivabradine", + "drug_mesh": "MESH:C088408", + "drugbank": "DB:DB09083" + }, + "links": [ + { + "key": "negatively regulates", + "source": "MESH:C088408", + "target": "UniProt:Q9UL51" + }, + { + "key": "negatively regulates", + "source": "MESH:C088408", + "target": "UniProt:Q9Y3Q4" + }, + { + "key": "regulates", + "source": "UniProt:Q9UL51", + "target": "GO:0086012" + }, + { + "key": "regulates", + "source": "UniProt:Q9Y3Q4", + "target": "GO:0086012" + }, + { + "key": "regulates", + "source": "GO:0086012", + "target": "GO:0006936" + }, + { + "key": "correlated with", + "source": "GO:0006936", + "target": "HP:0001681" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C088408", + 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If so, it could be due to as a precursor in the formation of glutathione (https://en.wikipedia.org/wiki/Acetylcysteine#Chemistry), which in turn could have a role in depleting the occurrence of protein aggregation (https://pubmed.ncbi.nlm.nih.gov/15857408/, https://pubmed.ncbi.nlm.nih.gov/33758187/).", + "directed": true, + "graph": { + "_id": "DB06151_MESH_D000686_2", + "disease": "Amyloidosis", + "disease_mesh": "MONDO:0019065", + "drug": "acetylcysteine", + "drug_mesh": "CHEBI:28939", + "drugbank": "DB:DB06151" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:28939", + "target": "CHEBI:15356" + }, + { + "key": "positively correlated with", + "source": "CHEBI:15356", + "target": "CHEBI:16856" + }, + { + "key": "negatively correlated with", + "source": "CHEBI:16856", + "target": "MONDO:0019065" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000111", + "label": "Drug", + "name": "acetylcysteine" + }, + { + "id": "CHEBI:15356", + "label": 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Its major metabolite are, phenobarbital and Phenylethylmalonamide, which are likely contributes to primidone's effects in many forms of epilepsy.", + "directed": true, + "graph": { + "_id": "DB00794_MESH_D004828_1", + "disease": "Simple partial seizure", + "disease_mesh": "MONDO:0005384", + "drug": "primidone", + "drug_mesh": "CHEBI:8412", + "drugbank": "DB:DB00794" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:8412", + "target": "CHEBI:8069" + }, + { + "key": "has metabolite", + "source": "CHEBI:8412", + "target": "CHEBI:8097" + }, + { + "key": "increases activity of", + "source": "CHEBI:8069", + "target": "InterPro:IPR006028" + }, + { + "key": "increases activity of", + "source": "CHEBI:8097", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "participates in", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "positively correlated with", + "source": "GO:0022851", + "target": "GO:0060081" + }, + { + "key": "negatively regulates", + "source": "GO:0060081", + "target": "GO:0019228" + }, + { + "key": "contributes to", + "source": "GO:0019228", + "target": "GO:0050806" + }, + { + "key": "positively correlated with", + "source": "GO:0050806", + "target": "MONDO:0005384" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011324", + "label": "Drug", + "name": "primidone" + }, + { + "id": "CHEBI:8069", + "label": "ChemicalSubstance", + "name": "phenobarbital" + }, + { + "id": "CHEBI:8097", + "label": "ChemicalSubstance", + "name": "Phenylethylmalonamide" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "GO:0022851", + "label": "MolecularActivity", + "name": "GABA-gated chloride ion channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "GO:0050806", + "label": "BiologicalProcess", + "name": "positive regulation of synaptic transmission" + }, + { + "id": "MESH:D004828", + "label": "Disease", + "name": "Simple partial seizure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00794", + "https://en.wikipedia.org/wiki/Primidone#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL856/" + ] + }, + { + "comment": "Primidone MoA is unknown. Its major metabolite are, phenobarbital and Phenylethylmalonamide, which are likely contributes to primidone's effects in many forms of epilepsy.", + "directed": true, + "graph": { + "_id": "DB00794_MESH_D004827_1", + "disease": "Epilepsy", + "disease_mesh": "MONDO:0005027", + "drug": "primidone", + "drug_mesh": "CHEBI:8412", + "drugbank": "DB:DB00794" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:8412", + "target": "CHEBI:8069" + }, + { + "key": "has metabolite", + "source": "CHEBI:8412", + "target": "CHEBI:8097" + }, + { + "key": "increases activity of", + "source": "CHEBI:8069", + "target": "InterPro:IPR006028" + }, + { + "key": "increases activity of", + "source": "CHEBI:8097", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "participates in", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "positively correlated with", + "source": "GO:0022851", + "target": "GO:0060081" + }, + { + "key": "negatively regulates", + "source": "GO:0060081", + "target": "GO:0019228" + }, + { + "key": "contributes to", + "source": "GO:0019228", + "target": "GO:0050806" + }, + { + "key": "positively correlated with", + "source": "GO:0050806", + "target": "MONDO:0005027" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011324", + "label": "Drug", + "name": "primidone" + }, + { + "id": "CHEBI:8069", + "label": "ChemicalSubstance", + "name": "phenobarbital" + }, + { + "id": "CHEBI:8097", + "label": "ChemicalSubstance", + "name": "Phenylethylmalonamide" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "GO:0022851", + "label": "MolecularActivity", + "name": "GABA-gated chloride ion channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "GO:0050806", + "label": "BiologicalProcess", + "name": "positive regulation of synaptic transmission" + }, + { + "id": "MESH:D004827", + "label": "Disease", + "name": "Epilepsy" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00794", + "https://en.wikipedia.org/wiki/Primidone#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL856/" + ] + }, + { + "comment": "Primidone MoA is unknown. Its major metabolite are, phenobarbital and Phenylethylmalonamide, which are likely contributes to primidone's effects in many forms of epilepsy.", + "directed": true, + "graph": { + "_id": "DB00794_MESH_D012640_1", + "disease": "Tonic-clonic seizure", + "disease_mesh": "MONDO:0001386", + "drug": "primidone", + "drug_mesh": "CHEBI:8412", + "drugbank": "DB:DB00794" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:8412", + "target": "CHEBI:8069" + }, + { + "key": "has metabolite", + "source": "CHEBI:8412", + "target": "CHEBI:8097" + }, + { + "key": "increases activity of", + "source": "CHEBI:8069", + "target": "InterPro:IPR006028" + }, + { + "key": "increases activity of", + "source": "CHEBI:8097", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "participates in", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "positively correlated with", + "source": "GO:0022851", + "target": "GO:0060081" + }, + { + "key": "negatively regulates", + "source": "GO:0060081", + "target": "GO:0019228" + }, + { + "key": "contributes to", + "source": "GO:0019228", + "target": "GO:0050806" + }, + { + "key": "positively correlated with", + "source": "GO:0050806", + "target": "MONDO:0001386" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011324", + "label": "Drug", + "name": "primidone" + }, + { + "id": "CHEBI:8069", + "label": "ChemicalSubstance", + "name": "phenobarbital" + }, + { + "id": "CHEBI:8097", + "label": "ChemicalSubstance", + "name": "Phenylethylmalonamide" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "GO:0022851", + "label": "MolecularActivity", + "name": "GABA-gated chloride ion channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "GO:0050806", + "label": "BiologicalProcess", + "name": "positive regulation of synaptic transmission" + }, + { + "id": "MESH:D012640", + "label": "Disease", + "name": "Tonic-clonic seizure" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00794", + "https://en.wikipedia.org/wiki/Primidone#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL856/" + ] + }, + { + "comment": "Primidone MoA is unknown. Its major metabolite are, phenobarbital and Phenylethylmalonamide, which are likely contributes to primidone's effects in many forms of epilepsy.", + "directed": true, + "graph": { + "_id": "DB00794_MESH_D065768_1", + "disease": "Lennox-Gastaut syndrome", + "disease_mesh": "MONDO:0016532", + "drug": "primidone", + "drug_mesh": "CHEBI:8412", + "drugbank": "DB:DB00794" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:8412", + "target": "CHEBI:8069" + }, + { + "key": "has metabolite", + "source": "CHEBI:8412", + "target": "CHEBI:8097" + }, + { + "key": "increases activity of", + "source": "CHEBI:8069", + "target": "InterPro:IPR006028" + }, + { + "key": "increases activity of", + "source": "CHEBI:8097", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "participates in", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "positively correlated with", + "source": "GO:0022851", + "target": "GO:0060081" + }, + { + "key": "negatively regulates", + "source": "GO:0060081", + "target": "GO:0019228" + }, + { + "key": "contributes to", + "source": "GO:0019228", + "target": "GO:0050806" + }, + { + "key": "positively correlated with", + "source": "GO:0050806", + "target": "MONDO:0016532" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D011324", + "label": "Drug", + "name": "primidone" + }, + { + "id": "CHEBI:8069", + "label": "ChemicalSubstance", + "name": "phenobarbital" + }, + { + "id": "CHEBI:8097", + "label": "ChemicalSubstance", + "name": "Phenylethylmalonamide" + }, + { + "id": "InterPro:IPR006028", + "label": "GeneFamily", + "name": "Gamma-aminobutyric acid A receptor/Glycine receptor alpha" + }, + { + "id": "GO:0022851", + "label": "MolecularActivity", + "name": "GABA-gated chloride ion channel activity" + }, + { + "id": "GO:0060081", + "label": "BiologicalProcess", + "name": "membrane hyperpolarization" + }, + { + "id": "GO:0019228", + "label": "BiologicalProcess", + "name": "neuronal action potential" + }, + { + "id": "GO:0050806", + "label": "BiologicalProcess", + "name": "positive regulation of synaptic transmission" + }, + { + "id": "MESH:D065768", + "label": "Disease", + "name": "Lennox-Gastaut syndrome" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00794", + "https://en.wikipedia.org/wiki/Primidone#Mechanism_of_action", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL856/" + ] + }, + { + "comment": "Primidone MoA is unknown. Its major metabolite are, phenobarbital and Phenylethylmalonamide, which are likely contributes to primidone's effects in many forms of epilepsy.", + "directed": true, + "graph": { + "_id": "DB00794_MESH_D004830_1", + "disease": "Tonic-clonic epilepsy", + "disease_mesh": "MONDO:0005754", + "drug": "primidone", + "drug_mesh": "CHEBI:8412", + "drugbank": "DB:DB00794" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:8412", + "target": "CHEBI:8069" + }, + { + "key": "has metabolite", + "source": "CHEBI:8412", + "target": "CHEBI:8097" + }, + { + "key": "increases activity of", + "source": "CHEBI:8069", + "target": "InterPro:IPR006028" + }, + { + "key": "increases activity of", + "source": "CHEBI:8097", + "target": "InterPro:IPR006028" + }, + { + "key": "positively regulates", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "participates in", + "source": "InterPro:IPR006028", + "target": "GO:0022851" + }, + { + "key": "positively correlated 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"name": "Lysosomal alpha-glucosidase" + }, + { + "id": "UniProt:P14410", + "label": "Protein", + "name": "Sucrase-isomaltase, intestinal" + }, + { + "id": "UniProt:Q2M2H8", + "label": "Protein", + "name": "Probable maltase-glucoamylase 2" + }, + { + "id": "GO:0044245", + "label": "BiologicalProcess", + "name": "Polysaccharide digestion" + }, + { + "id": "GO:0106001", + "label": "BiologicalProcess", + "name": "Intestinal hexose absorption" + }, + { + "id": "MESH:D001786", + "label": "ChemicalSubstance", + "name": "Blood Glucose" + }, + { + "id": "MESH:D003924", + "label": "Disease", + "name": "Diabetes mellitus type 2" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04878", + "https://pubmed.ncbi.nlm.nih.gov/19208898/", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL476960/" + ] + }, + { + "comment": "No direct evidence available that support voglibose MoA for Gaucher Disease. However there is a hypothesis that the combination of small \u03b1-glucosidase inhibitors as pharmacological chaperones (PCs) with enzyme replacement therapy (ERT) has been shown to have a synergic effect in improved enzyme activity and reduction of toxic metabolites in Pompe's disease or Gaucher disease.", + "directed": true, + "graph": { + "_id": "DB04878_MESH_D005776_1", + "disease": "Glucosylceramide beta-glucosidase deficiency", + "disease_mesh": "MONDO:0018150", + "drug": "voglibose", + "drug_mesh": "CHEBI:32300", + "drugbank": "DB:DB04878" + }, + "links": [ + { + "key": "increases degradation of", + "source": "CHEBI:32300", + "target": "CHEBI:36500" + }, + { + "key": "causes", + "source": "CHEBI:36500", + "target": "MONDO:0018150" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:C102817", + "label": "Drug", + "name": "voglibose" + }, + { + "id": "MESH:D005963", + "label": "ChemicalSubstance", + "name": "Glucosylceramides" + }, + { + "alt_names": [ + "Gaucher Disease" + ], + "id": "MESH:D005776", + "label": "Disease", + "name": "Glucosylceramide beta-glucosidase deficiency" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB04878", + "https://academic.oup.com/glycob/article/13/10/93R/554319", + "https://bit.ly/3EEGL6O" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06412_MESH_D000741_1", + "disease": "Aplastic anemia", + "disease_mesh": "MONDO:0015909", + "drug": "oxymetholone", + "drug_mesh": "CHEBI:7864", + "drugbank": "DB:DB06412" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:7864", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0030521" + }, + { + "key": "positively regulates", + "source": "GO:0030521", + "target": "GO:0042541" + }, + { + "key": "positively regulates", + "source": "GO:0030521", + "target": "GO:0030218" + }, + { + "key": "negatively correlated with", + "source": "GO:0042541", + "target": "MONDO:0015909" + }, + { + "key": "negatively correlated with", + "source": "GO:0030218", + "target": "MONDO:0015909" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010110", + "label": "Drug", + "name": "oxymetholone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0030521", + "label": "BiologicalProcess", + "name": "Androgen receptor signaling pathway" + }, + { + "id": "GO:0042541", + "label": "BiologicalProcess", + "name": "hemoglobin biosynthetic process" + }, + { + "id": "GO:0030218", + "label": "BiologicalProcess", + "name": "erythrocyte differentiation" + }, + { + "id": "MESH:D000741", + "label": "Disease", + "name": "Aplastic anemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06412", + "https://pubchem.ncbi.nlm.nih.gov/compound/5281034", + "https://en.wikipedia.org/wiki/Oxymetholone", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1200585/" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB06412_MESH_D029503_1", + "disease": "Congenital hypoplastic anemia", + "disease_mesh": "MONDO:0015253", + "drug": "oxymetholone", + "drug_mesh": "CHEBI:7864", + "drugbank": "DB:DB06412" + }, + "links": [ + { + "key": "increases activity of", + "source": "CHEBI:7864", + "target": "UniProt:P10275" + }, + { + "key": "positively regulates", + "source": "UniProt:P10275", + "target": "GO:0030521" + }, + { + "key": "positively regulates", + "source": "GO:0030521", + "target": "GO:0042541" + }, + { + "key": "positively regulates", + "source": "GO:0030521", + "target": "GO:0030218" + }, + { + "key": "negatively correlated with", + "source": "GO:0042541", + "target": "MONDO:0015253" + }, + { + "key": "negatively correlated with", + "source": "GO:0030218", + "target": "MONDO:0015253" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D010110", + "label": "Drug", + "name": "oxymetholone" + }, + { + "id": "UniProt:P10275", + "label": "Protein", + "name": "Androgen receptor" + }, + { + "id": "GO:0030521", + "label": "BiologicalProcess", + "name": "Androgen receptor signaling pathway" + }, + { + "id": "GO:0042541", + "label": "BiologicalProcess", + "name": "hemoglobin biosynthetic process" + }, + { + "id": "GO:0030218", + "label": "BiologicalProcess", + "name": "erythrocyte differentiation" + }, + { + "id": "MESH:D029503", + "label": "Disease", + "name": "Congenital hypoplastic anemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB06412", + "https://pubchem.ncbi.nlm.nih.gov/compound/5281034", + "https://en.wikipedia.org/wiki/Oxymetholone", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1200585/" + ] + }, + { + "comment": "The main components of OM3-CA, eicosapentaenoic acid, and docosahexaenoic acid, are poor substrates for the enzymes responsible for the synthesis of triglycerides (TG). It enhances the clearance of TG from circulating VLDL particles; increased breakdown of fatty acids; inhibition of DAG; and increased activity of lipoprotein lipase in blood.", + "directed": true, + "graph": { + "_id": "DB09568_MESH_D015228_1", + "disease": "Hypertriglyceridemia", + "disease_mesh": "MONDO:0005347", + "drug": "omega-3-carboxylic acids", + "drug_mesh": null, + "drugbank": "DB:DB09568" + }, + "links": [ + { + "key": "decreases activity of", + "source": "DB:DB09568", + "target": "UniProt:O75907" + }, + { + "key": "negatively regulates", + "source": "UniProt:O75907", + "target": "reactome:R-HSA-75109" + }, + { + "key": "decreases abundance of", + "source": "reactome:R-HSA-75109", + "target": "CHEBI:17855" + }, + { + "key": "increases activity of", + "source": "DB:DB09568", + "target": "UniProt:P06858" + }, + { + "key": "located in", + "source": "UniProt:P06858", + "target": "UBERON:0000178" + }, + { + "key": "increases degradation of", + "source": "UBERON:0000178", + 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"reactome:R-HSA-74259", + "target": "CHEBI:27226" + }, + { + "key": "positively correlated with", + "source": "CHEBI:27226", + "target": "MONDO:0005393" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000493", + "label": "Drug", + "name": "allopurinol" + }, + { + "id": "UniProt:P47989", + "label": "Protein", + "name": "Xanthine dehydrogenase/oxidase" + }, + { + "id": "reactome:R-HSA-74259", + "label": "Pathway", + "name": "Purine catabolism" + }, + { + "id": "CHEBI:27226", + "label": "ChemicalSubstance", + "name": "uric acid" + }, + { + "id": "MESH:D006073", + "label": "Disease", + "name": "Gout" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00437", + "https://en.wikipedia.org/wiki/Allopurinol#Mechanism_of_action" + ] + }, + { + "comment": "MESH:D015210 is denominated as Arthritis, Gouty in the MESH website and defined as \"Arthritis, especially of the great toe, as a result of gout. \" (https://meshb.nlm.nih.gov/record/ui?ui=D015210).", + "directed": true, + "graph": { + "_id": "DB00437_MESH_D015210_1", + "disease": "Articular gout", + "disease_mesh": "MONDO:0005393", + "drug": "allopurinol", + "drug_mesh": "CHEBI:40279", + "drugbank": "DB:DB00437" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:40279", + "target": "UniProt:P47989" + }, + { + "key": "participates in", + "source": "UniProt:P47989", + "target": "reactome:R-HSA-74259" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-74259", + "target": "CHEBI:27226" + }, + { + "key": "positively correlated with", + "source": "CHEBI:27226", + "target": "HP:0001854" + }, + { + "key": "manifestation of", + "source": "HP:0001854", + "target": "MONDO:0005393" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000493", + "label": "Drug", + "name": "allopurinol" + }, + { + "id": "UniProt:P47989", + "label": "Protein", + "name": "Xanthine dehydrogenase/oxidase" + }, + { + "id": "reactome:R-HSA-74259", + "label": "Pathway", + "name": "Purine catabolism" + }, + { + "id": "CHEBI:27226", + "label": "ChemicalSubstance", + "name": "uric acid" + }, + { + "id": "HP:0001854", + "label": "PhenotypicFeature", + "name": "Podagra" + }, + { + "id": "MESH:D015210", + "label": "Disease", + "name": "Articular gout" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00437", + "https://en.wikipedia.org/wiki/Allopurinol#Mechanism_of_action" + ] + }, + { + "directed": true, + "graph": { + "_id": "DB00437_MESH_D033461_1", + "disease": "Hyperuricemia", + "disease_mesh": "HP:0002149", + "drug": "allopurinol", + "drug_mesh": "CHEBI:40279", + "drugbank": "DB:DB00437" + }, + "links": [ + { + "key": "negatively regulates", + "source": "CHEBI:40279", + "target": "UniProt:P47989" + }, + { + "key": "participates in", + "source": "UniProt:P47989", + "target": "reactome:R-HSA-74259" + }, + { + "key": "increases abundance of", + "source": "reactome:R-HSA-74259", + "target": "CHEBI:27226" + }, + { + "key": "positively correlated with", + "source": "CHEBI:27226", + "target": "HP:0002149" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D000493", + "label": "Drug", + "name": "allopurinol" + }, + { + "id": "UniProt:P47989", + "label": "Protein", + "name": "Xanthine dehydrogenase/oxidase" + }, + { + "id": "reactome:R-HSA-74259", + "label": "Pathway", + "name": "Purine catabolism" + }, + { + "id": "CHEBI:27226", + "label": "ChemicalSubstance", + "name": "uric acid" + }, + { + "id": "MESH:D033461", + "label": "Disease", + "name": "Hyperuricemia" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00437", + "https://en.wikipedia.org/wiki/Allopurinol#Mechanism_of_action" + ] + }, + { + "comment": "Vancomycin is not active against Gram-negative bacteria (https://en.wikipedia.org/wiki/Vancomycin#Mechanism_of_action).", + "directed": true, + "graph": { + "_id": "DB00512_MESH_D004697_1", + "disease": "Bacterial endocarditis", + "disease_mesh": "MONDO:0006669", + "drug": "vancomycin", + "drug_mesh": "CHEBI:28001", + "drugbank": "DB:DB00512" + }, + "links": [ + { + "key": "disrupts", + "source": "CHEBI:28001", + "target": "CHEBI:16576" + }, + { + "key": "negatively regulates", + "source": "CHEBI:28001", + "target": "GO:0018104" + }, + { + "key": "in taxon", + "source": "GO:0018104", + "target": "taxonomy:1280" + }, + { + "key": "negatively regulates", + "source": "CHEBI:28001", + "target": "GO:0032774" + }, + { + "key": "in taxon", + "source": "GO:0032774", + "target": "taxonomy:1280" + }, + { + "key": "disrupts", + "source": "CHEBI:28001", + "target": "MESH:D010539" + }, + { + "key": "in taxon", + "source": "MESH:D010539", + "target": "taxonomy:1280" + }, + { + "key": "located in", + "source": "CHEBI:16576", + "target": "GO:0009275" + }, + { + "key": "in taxon", + "source": "GO:0009275", + "target": "taxonomy:1280" + }, + { + "key": "causes", + "source": "taxonomy:1280", + "target": "MONDO:0006669" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014640", + "label": "Drug", + "name": "vancomycin" + }, + { + "id": "CHEBI:16576", + "label": "ChemicalSubstance", + "name": "D-alanyl-D-alanine" + }, + { + "id": "GO:0009275", + "label": "CellularComponent", + "name": "Gram-positive-bacterium-type cell wall" + }, + { + "id": "GO:0018104", + "label": "BiologicalProcess", + "name": "peptidoglycan-protein cross-linking" + }, + { + "id": "GO:0032774", + "label": "BiologicalProcess", + "name": "RNA biosynthetic process" + }, + { + "id": "MESH:D010539", + "label": "BiologicalProcess", + "name": "Permeability" + }, + { + "id": "taxonomy:1280", + "label": "OrganismTaxon", + "name": "Staphylococcus aureus" + }, + { + "id": "MESH:D004697", + "label": "Disease", + "name": "Bacterial endocarditis" + } + ], + "reference": [ + "https://pubchem.ncbi.nlm.nih.gov/compound/14969#section=Mechanism-of-Action", + "https://go.drugbank.com/drugs/DB00512", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL262777/" + ] + }, + { + "comment": "Vancomycin is not active against Gram-negative bacteria (https://en.wikipedia.org/wiki/Vancomycin#Mechanism_of_action).", + "directed": true, + "graph": { + "_id": "DB00512_MESH_D011023_1", + "disease": "Staphylococcal pneumonia", + "disease_mesh": "MONDO:0005970", + "drug": "vancomycin", + "drug_mesh": "CHEBI:28001", + "drugbank": "DB:DB00512" + }, + "links": [ + { + "key": "disrupts", + "source": "CHEBI:28001", + "target": "CHEBI:16576" + }, + { + "key": "negatively regulates", + "source": "CHEBI:28001", + "target": "GO:0018104" + }, + { + "key": "in taxon", + "source": "GO:0018104", + "target": "taxonomy:1280" + }, + { + "key": "negatively regulates", + "source": "CHEBI:28001", + "target": "GO:0032774" + }, + { + "key": "in taxon", + "source": "GO:0032774", + "target": "taxonomy:1280" + }, + { + "key": "disrupts", + "source": "CHEBI:28001", + "target": "MESH:D010539" + }, + { + "key": "in taxon", + "source": "MESH:D010539", + "target": "taxonomy:1280" + }, + { + "key": "located in", + "source": 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"Staphylococcal pneumonia" + } + ], + "reference": [ + "https://pubchem.ncbi.nlm.nih.gov/compound/14969#section=Mechanism-of-Action", + "https://go.drugbank.com/drugs/DB00512", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL262777/" + ] + }, + { + "comment": "Vancomycin is not active against Gram-negative bacteria (https://en.wikipedia.org/wiki/Vancomycin#Mechanism_of_action).", + "directed": true, + "graph": { + "_id": "DB00512_MESH_D000071074_1", + "disease": "Sepsis of the newborn", + "disease_mesh": "HP:0040187", + "drug": "vancomycin", + "drug_mesh": "CHEBI:28001", + "drugbank": "DB:DB00512" + }, + "links": [ + { + "key": "disrupts", + "source": "CHEBI:28001", + "target": "CHEBI:16576" + }, + { + "key": "negatively regulates", + "source": "CHEBI:28001", + "target": "GO:0018104" + }, + { + "key": "in taxon", + "source": "GO:0018104", + "target": "taxonomy:1311" + }, + { + "key": "negatively regulates", + "source": "CHEBI:28001", + "target": "GO:0032774" + }, + { + "key": "in taxon", + "source": "GO:0032774", + "target": "taxonomy:1311" + }, + { + "key": "disrupts", + "source": "CHEBI:28001", + "target": "MESH:D010539" + }, + { + "key": "in taxon", + "source": "MESH:D010539", + "target": "taxonomy:1311" + }, + { + "key": "located in", + "source": "CHEBI:16576", + "target": "GO:0009275" + }, + { + "key": "in taxon", + "source": "GO:0009275", + "target": "taxonomy:1311" + }, + { + "key": "causes", + "source": "taxonomy:1311", + "target": "HP:0040187" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014640", + "label": "Drug", + "name": "vancomycin" + }, + { + "id": "CHEBI:16576", + "label": "ChemicalSubstance", + "name": "D-alanyl-D-alanine" + }, + { + "id": "GO:0009275", + "label": "CellularComponent", + "name": "Gram-positive-bacterium-type cell wall" + }, + { + "id": "GO:0018104", + "label": "BiologicalProcess", + "name": "peptidoglycan-protein cross-linking" + }, + { + "id": "GO:0032774", + "label": "BiologicalProcess", + "name": "RNA biosynthetic process" + }, + { + "id": "MESH:D010539", + "label": "BiologicalProcess", + "name": "Permeability" + }, + { + "id": "taxonomy:1311", + "label": "OrganismTaxon", + "name": "Streptococcus agalactiae" + }, + { + "id": "MESH:D000071074", + "label": "Disease", + "name": "Sepsis of the newborn" + } + ], + "reference": [ + "https://pubchem.ncbi.nlm.nih.gov/compound/14969#section=Mechanism-of-Action", + "https://go.drugbank.com/drugs/DB00512", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL262777/", + "https://medlineplus.gov/ency/article/007303.htm", + "https://medlineplus.gov/ency/article/001366.htm" + ] + }, + { + "comment": "Vancomycin is not active against Gram-negative bacteria (https://en.wikipedia.org/wiki/Vancomycin#Mechanism_of_action).", + "directed": true, + "graph": { + "_id": "DB00512_MESH_D013203_1", + "disease": "Infection due to Staphylococcus aureus", + "disease_mesh": "MONDO:0024313", + "drug": "vancomycin", + "drug_mesh": "CHEBI:28001", + "drugbank": "DB:DB00512" + }, + "links": [ + { + "key": "disrupts", + "source": "CHEBI:28001", + "target": "CHEBI:16576" + }, + { + "key": "negatively regulates", + "source": "CHEBI:28001", + "target": "GO:0018104" + }, + { + "key": "in taxon", + "source": "GO:0018104", + "target": "taxonomy:1280" + }, + { + "key": "negatively regulates", + "source": "CHEBI:28001", + "target": "GO:0032774" + }, + { + "key": "in taxon", + "source": "GO:0032774", + "target": "taxonomy:1280" + }, + { + "key": "disrupts", + "source": "CHEBI:28001", + "target": "MESH:D010539" + }, + { + "key": "in taxon", + "source": "MESH:D010539", + "target": "taxonomy:1280" + }, + { + "key": "located in", + "source": "CHEBI:16576", + "target": "GO:0009275" + }, + { + "key": "in taxon", + "source": "GO:0009275", + "target": "taxonomy:1280" + }, + { + "key": "causes", + "source": "taxonomy:1280", + "target": "MONDO:0024313" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014640", + "label": "Drug", + "name": "vancomycin" + }, + { + "id": "CHEBI:16576", + "label": "ChemicalSubstance", + "name": "D-alanyl-D-alanine" + }, + { + "id": "GO:0009275", + "label": "CellularComponent", + "name": "Gram-positive-bacterium-type cell wall" + }, + { + "id": "GO:0018104", + "label": "BiologicalProcess", + "name": "peptidoglycan-protein cross-linking" + }, + { + "id": "GO:0032774", + "label": "BiologicalProcess", + "name": "RNA biosynthetic process" + }, + { + "id": "MESH:D010539", + "label": "BiologicalProcess", + "name": "Permeability" + }, + { + "id": "taxonomy:1280", + "label": "OrganismTaxon", + "name": "Staphylococcus aureus" + }, + { + "id": "MESH:D013203", + "label": "Disease", + "name": "Infection due to Staphylococcus aureus" + } + ], + "reference": [ + "https://pubchem.ncbi.nlm.nih.gov/compound/14969#section=Mechanism-of-Action", + "https://go.drugbank.com/drugs/DB00512", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL262777/" + ] + }, + { + "comment": "Vancomycin is not active against Gram-negative bacteria (https://en.wikipedia.org/wiki/Vancomycin#Mechanism_of_action). MESH:D004761 is denoted as Enterocolitis, Pseudomembranous in the MESH website (https://meshb.nlm.nih.gov/record/ui?ui=D004761).", + "directed": true, + "graph": { + "_id": "DB00512_MESH_D004761_1", + "disease": "Pseudomembranous enterocolitis", + "disease_mesh": "MONDO:0000705", + "drug": "vancomycin", + "drug_mesh": "CHEBI:28001", + "drugbank": "DB:DB00512" + }, + "links": [ + { + "key": "disrupts", + "source": "CHEBI:28001", + "target": "CHEBI:16576" + }, + { + "key": "negatively regulates", + "source": "CHEBI:28001", + "target": "GO:0018104" + }, + { + "key": "in taxon", + "source": "GO:0018104", + "target": "taxonomy:1496" + }, + { + "key": "negatively regulates", + "source": "CHEBI:28001", + "target": "GO:0032774" + }, + { + "key": "in taxon", + "source": "GO:0032774", + "target": "taxonomy:1496" + }, + { + "key": "disrupts", + "source": "CHEBI:28001", + "target": "MESH:D010539" + }, + { + "key": "in taxon", + "source": "MESH:D010539", + "target": "taxonomy:1496" + }, + { + "key": "located in", + "source": "CHEBI:16576", + "target": "GO:0009275" + }, + { + "key": "in taxon", + "source": "GO:0009275", + "target": "taxonomy:1496" + }, + { + "key": "causes", + "source": "taxonomy:1496", + "target": "MONDO:0000705" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D014640", + "label": "Drug", + "name": "vancomycin" + }, + { + "id": "CHEBI:16576", + "label": "ChemicalSubstance", + "name": "D-alanyl-D-alanine" + }, + { + "id": "GO:0009275", + "label": "CellularComponent", + "name": "Gram-positive-bacterium-type cell wall" + }, + { + "id": "GO:0018104", + "label": "BiologicalProcess", + "name": "peptidoglycan-protein cross-linking" + }, + { + "id": "GO:0032774", + "label": "BiologicalProcess", + "name": "RNA biosynthetic process" + }, + { + "id": "MESH:D010539", + "label": "BiologicalProcess", + "name": "Permeability" + }, + { + "id": "taxonomy:1496", + "label": "OrganismTaxon", + "name": "Clostridioides difficile" + }, + { + "id": "MESH:D004761", + "label": "Disease", + "name": "Pseudomembranous enterocolitis" + } + ], + "reference": [ + "https://pubchem.ncbi.nlm.nih.gov/compound/14969#section=Mechanism-of-Action", + "https://go.drugbank.com/drugs/DB00512", + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL262777/" + ] + }, + { + "comment": "It's been debated whether the side effects of this drug is worth it when used for treating Parkinson's (https://en.wikipedia.org/wiki/Dopamine_agonist#History).", + "directed": true, + "graph": { + "_id": "DB01235_MESH_D010300_1", + "disease": "Parkinson's disease", + "disease_mesh": "MONDO:0005180", + "drug": "levodopa", + "drug_mesh": "CHEBI:15765", + "drugbank": "DB:DB01235" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:15765", + "target": "CHEBI:49168" + }, + { + "key": "positively regulates", + "source": "CHEBI:49168", + "target": "UniProt:P35462" + }, + { + "key": "positively regulates", + "source": "UniProt:P35462", + "target": "GO:0001963" + }, + { + "key": "negatively correlated with", + "source": "GO:0001963", + "target": "MONDO:0005180" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007980", + "label": "Drug", + "name": "levodopa" + }, + { + "id": "MESH:D004295", + "label": "ChemicalSubstance", + "name": "Dihydroxyphenylalanine" + }, + { + "id": "UniProt:P35462", + "label": "Protein", + "name": "D(3) dopamine receptor" + }, + { + "id": "GO:0001963", + "label": "BiologicalProcess", + "name": "synaptic transmission, dopaminergic" + }, + { + "id": "MESH:D010300", + "label": "Disease", + "name": "Parkinson's disease" + } + ], + "reference": [ + "https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1009/", + "https://en.wikipedia.org/wiki/L-DOPA#Medical_use", + "https://pubchem.ncbi.nlm.nih.gov/compound/6047#section=Mechanism-of-Action" + ] + }, + { + "comment": "It's been debated whether the side effects of this drug is worth it when used for treating Parkinson's (https://en.wikipedia.org/wiki/Dopamine_agonist#History).", + "directed": true, + "graph": { + "_id": "DB01235_MESH_D020734_2", + "disease": "Parkinsonism", + "disease_mesh": "MONDO:0021095", + "drug": "levodopa", + "drug_mesh": "CHEBI:15765", + "drugbank": "DB:DB01235" + }, + "links": [ + { + "key": "has metabolite", + "source": "CHEBI:15765", + "target": "CHEBI:49168" + }, + { + "key": "positively regulates", + "source": "CHEBI:49168", + "target": "UniProt:P35462" + }, + { + "key": "positively regulates", + "source": "UniProt:P35462", + "target": "GO:0001963" + }, + { + "key": "negatively correlated with", + "source": "GO:0001963", + "target": "MONDO:0021095" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D007980", + "label": "Drug", + "name": "levodopa" + }, + { + "id": "MESH:D004295", + "label": "ChemicalSubstance", + "name": "Dihydroxyphenylalanine" + }, + { + "id": "UniProt:P35462", + "label": "Protein", + "name": "D(3) dopamine receptor" + }, + { + "id": 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"reference": [ + "https://go.drugbank.com/drugs/DB00916#mechanism-of-action", + "https://en.wikipedia.org/wiki/Abscess" + ] + }, + { + "comment": "Metronidazole is a nitroimidazole which is only effective against anaerobic bacterial infections.", + "directed": true, + "graph": { + "_id": "DB00916_MESH_D001922_1", + "disease": "Brain Abscess", + "disease_mesh": "HP:0030049", + "drug": "metronidazole", + "drug_mesh": "CHEBI:6909", + "drugbank": "DB:DB00916" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:6909", + "target": "CHEBI:16991" + }, + { + "key": "positively regulates", + "source": "CHEBI:16991", + "target": "GO:0090304" + }, + { + "key": "occurs in", + "source": "GO:0090304", + "target": "taxonomy:2" + }, + { + "key": "causes", + "source": "taxonomy:2", + "target": "HP:0030049" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008795", + "label": "Drug", + "name": "metronidazole" + }, + { + "id": "MESH:D004247", + "label": 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"https://go.drugbank.com/drugs/DB00916#mechanism-of-action", + "https://en.wikipedia.org/wiki/Endometritis" + ] + }, + { + "comment": "Metronidazole is a nitroimidazole which is only effective against anaerobic bacterial infections.", + "directed": true, + "graph": { + "_id": "DB00916_MESH_D005873_1", + "disease": "Giardiasis", + "disease_mesh": "MONDO:0001103", + "drug": "metronidazole", + "drug_mesh": "CHEBI:6909", + "drugbank": "DB:DB00916" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:6909", + "target": "CHEBI:16991" + }, + { + "key": "positively regulates", + "source": "CHEBI:16991", + "target": "GO:0090304" + }, + { + "key": "occurs in", + "source": "GO:0090304", + "target": "taxonomy:5741" + }, + { + "key": "causes", + "source": "taxonomy:5741", + "target": "MONDO:0001103" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008795", + "label": "Drug", + "name": "metronidazole" + }, + { + "id": "MESH:D004247", + "label": 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"disease": "Liver Abscess", + "disease_mesh": "MONDO:0700051", + "drug": "metronidazole", + "drug_mesh": "CHEBI:6909", + "drugbank": "DB:DB00916" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:6909", + "target": "CHEBI:16991" + }, + { + "key": "positively regulates", + "source": "CHEBI:16991", + "target": "GO:0090304" + }, + { + "key": "occurs in", + "source": "GO:0090304", + "target": "taxonomy:2" + }, + { + "key": "causes", + "source": "taxonomy:2", + "target": "MONDO:0700051" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008795", + "label": "Drug", + "name": "metronidazole" + }, + { + "id": "MESH:D004247", + "label": "ChemicalSubstance", + "name": "DNA" + }, + { + "id": "GO:0090304", + "label": "BiologicalProcess", + "name": "nucleic acid metabolic process" + }, + { + "id": "taxonomy:2", + "label": "OrganismTaxon", + "name": "Bacteria" + }, + { + "id": "MESH:D008100", + "label": "Disease", + "name": "Liver Abscess" + } + ], + "reference": [ + "https://go.drugbank.com/drugs/DB00916#mechanism-of-action", + "https://en.wikipedia.org/wiki/Liver_abscess" + ] + }, + { + "comment": "Metronidazole is a nitroimidazole which is only effective against anaerobic bacterial infections.", + "directed": true, + "graph": { + "_id": "DB00916_MESH_D008101_1", + "disease": "Liver Abscess, Amebic", + "disease_mesh": "UMLS:C0023886", + "drug": "metronidazole", + "drug_mesh": "CHEBI:6909", + "drugbank": "DB:DB00916" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:6909", + "target": "CHEBI:16991" + }, + { + "key": "positively regulates", + "source": "CHEBI:16991", + "target": "GO:0090304" + }, + { + "key": "occurs in", + "source": "GO:0090304", + "target": "taxonomy:5759" + }, + { + "key": "causes", + "source": "taxonomy:5759", + "target": "UMLS:C0023886" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008795", + "label": "Drug", + "name": "metronidazole" + }, + { + "id": "MESH:D004247", + "label": 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"https://go.drugbank.com/drugs/DB00916#mechanism-of-action", + "https://en.wikipedia.org/wiki/Trichomoniasis" + ] + }, + { + "comment": "Metronidazole is a nitroimidazole which is only effective against anaerobic bacterial infections.", + "directed": true, + "graph": { + "_id": "DB00916_MESH_D016585_1", + "disease": "Vaginosis, Bacterial", + "disease_mesh": "MONDO:0005316", + "drug": "metronidazole", + "drug_mesh": "CHEBI:6909", + "drugbank": "DB:DB00916" + }, + "links": [ + { + "key": "decreases activity of", + "source": "CHEBI:6909", + "target": "CHEBI:16991" + }, + { + "key": "positively regulates", + "source": "CHEBI:16991", + "target": "GO:0090304" + }, + { + "key": "occurs in", + "source": "GO:0090304", + "target": "taxonomy:2" + }, + { + "key": "causes", + "source": "taxonomy:2", + "target": "MONDO:0005316" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D008795", + "label": "Drug", + "name": "metronidazole" + }, + { + "id": "MESH:D004247", + "label": 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negative feedback on the pituitary gland (https://amj.amegroups.com/article/view/4506/5248).", + "directed": true, + "graph": { + "_id": "DB01234_MESH_D000312_1", + "disease": "Adrenogenital disorder", + "disease_mesh": "MONDO:0018479", + "drug": "dexamethasone", + "drug_mesh": "CHEBI:41879", + "drugbank": "DB:DB01234" + }, + "links": [ + { + "key": "positively regulates", + "source": "CHEBI:41879", + "target": "UniProt:P04150" + }, + { + "key": "negatively correlated with", + "source": "UniProt:P04150", + "target": "GO:0006702" + }, + { + "key": "positively correlated with", + "source": "GO:0006702", + "target": "MONDO:0018479" + } + ], + "multigraph": true, + "nodes": [ + { + "id": "MESH:D003907", + "label": "Drug", + "name": "dexamethasone" + }, + { + "id": "UniProt:P04150", + "label": "Protein", + "name": "Glucocorticoid receptor" + }, + { + "id": "GO:0006702", + "label": "BiologicalProcess", + "name": "androgen biosynthetic process" + }, + { + "alt_name": "Adrenal Hyperplasia, 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"PUBCHEM.COMPOUND:3064778", + "UniProtKB:P43702": "UniProtKB:P43702", + "MESH:C003321": "PUBCHEM.COMPOUND:169893", + "HP:0001337": "HP:0001337", + "MESH:D000863": "CHEBI:65265", + "MESH:D002443": "CHEBI:29007", + "MESH:D013617": "HP:0004755", + "MESH:D001647": "CHEBI:138366", + "GO:0016020": "GO:0016020", + "GO:0002418": "GO:0002418", + "DrugBank:DB11992": "CHEBI:134735", + "UniProtKB:P08908": "UniProtKB:P08908", + "UniProtKB:Q12882": "UniProtKB:Q12882", + "MESH:D005047": "CHEBI:4911", + "MESH:D010648": "MESH:D010648", + "UniProtKB:P48048": "UniProtKB:P48048", + "NCBITaxon:138": "NCBITaxon:138", + "MESH:D005447": "CHEBI:5109", + "MESH:C575157": "CHEBI:133023", + "DrugBank:DB12095": "PUBCHEM.COMPOUND:25181577", + "UBERON:0002306": "UBERON:0002306", + "MESH:C003402": "CHEBI:59560", + "GO:0006959": "GO:0006959", + "UniProtKB:Q9KP07": "UniProtKB:Q9KP07", + "GO:0061731": "GO:0061731", + "MESH:C084711": "CHEBI:134990", + "NCBITaxon:746128": "NCBITaxon:746128", + "MESH:D008100": "MONDO:0700051", + "MESH:D004760": "MONDO:0009172", + "DrugBank:DB14682": "CHEBI:29133", + "CL:0000738": "CL:0000738", + "UniProtKB:Q96SW2": "UniProtKB:Q96SW2", + "UniProtKB:P48169": "UniProtKB:P48169", + "MESH:D012223": "MONDO:0006004", + "MESH:D004942": "MONDO:0006896", + "MESH:C419664": "CHEBI:135926", + "GO:0071349": "GO:0071349", + "GO:0035812": "GO:0035812", + "UniProtKB:Q9Y6K1": "UniProtKB:Q9Y6K1", + "UniProtKB:C1CIH6": "UniProtKB:C1CIH6", + "CHEBI:80308": "CHEBI:80308", + "MESH:D000069557": "CHEBI:746859", + "MESH:C032801": "CHEBI:32192", + "UniProtKB:P05121": "UniProtKB:P05121", + "MESH:C504234": "UNII:T4H8FMA7IM", + "UniProtKB:P66096": "UniProtKB:P66096", + "MESH:D001281": "MONDO:0004981", + "UniProtKB:Q2G0P0": "UniProtKB:Q2G0P0", + "DrugBank:DB00966": "CHEBI:9434", + "MESH:D007741": "CHEBI:167638", + "UniProtKB:Q13936": "UniProtKB:Q13936", + "MESH:D004966": "PUBCHEM.COMPOUND:23667301", + "GO:0060083": "GO:0060083", + "MESH:C015207": "CHEBI:94731", + "MESH:D010412": "MONDO:0006895", + "MESH:C004945": "CHEBI:5555", + "MESH:C012776": "MESH:C012776", + "MESH:C008088": "CHEBI:31186", + "GO:0007159": "GO:0007159", + "UniProtKB:Q9Y271": "UniProtKB:Q9Y271", + "MESH:C000589393": "UNII:TT6HN20MVF", + "GO:0106001": "GO:0106001", + "MESH:C100146": "CHEBI:27796", + "MESH:D053158": "HP:0000017", + "MESH:D003493": "CHEBI:31444", + "MESH:C084597": "CHEBI:94402", + "MESH:C447119": "CHEBI:135947", + "MESH:D006969": "MONDO:0007817", + "MESH:D005902": "MONDO:0005338", + "UniProtKB:Q8DR59": "UniProtKB:Q8DR59", + "MESH:D007610": "MESH:D007610", + "CHEBI:16335": "CHEBI:16335", + "GO:0008203": "GO:0008203", + "MESH:C021270": "CHEBI:32221", + "NCBITaxon:5722": "NCBITaxon:5722", + "UniProtKB:Q8ZB62": "UniProtKB:Q8ZB62", + "GO:0050798": "GO:0050798", + "HP:0000987": "HP:0000987", + "MESH:D014029": "MONDO:0008575", + "GO:0039693": "GO:0039693", + "MESH:D010673": "MONDO:0008233", + "NCBITaxon:5833": "NCBITaxon:5833", + "MESH:D002740": "CHEBI:3640", + "NCBITaxon:12058": "NCBITaxon:12058", + "MESH:D005609": "CHEBI:26519", + "CHEBI:16576": "CHEBI:16576", + "GO:0043303": "GO:0043303", + "MESH:C587012": "MESH:C587012", + "NCBITaxon:573": "NCBITaxon:573", + "NCBITaxon:666": "NCBITaxon:666", + "UniProtKB:P44469": "UniProtKB:P44469", + "UniProtKB:Q02318": "UniProtKB:Q02318", + "MESH:D009270": "CHEBI:7459", + "MESH:D010869": "CHEBI:8214", + "GO:0050968": "GO:0050968", + "GO:0002407": "GO:0002407", + "MESH:D019355": "UNII:MLM29U2X85", + "UniProtKB:P38435": "UniProtKB:P38435", + "MESH:D005753": "UBERON:0001199", + "MESH:D016773": "MONDO:0005446", + "MESH:D011493": "MESH:D011493", + "GO:0008900": "GO:0008900", + "UniProtKB:O84619": "UniProtKB:O84619", + "GO:0008236": "GO:0008236", + "MESH:C077049": "CHEBI:135809", + "MESH:C010809": "CHEBI:93856", + "HP:0001943": "MONDO:0004946", + "GO:0005893": "GO:0005893", + "MESH:D004318": "UNII:334895S862", + "CHEBI:8097": "CHEBI:8097", + "CHEBI:73420": "CHEBI:73420", + "UniProtKB:Q14524": "UniProtKB:Q14524", + "MESH:D014290": "CHEBI:6897", + "MESH:D000077784": "CHEBI:66910", + "MESH:D010546": "CHEBI:8028", + "GO:0006754": "GO:0006754", + "GO:0006635": "GO:0006635", + "MESH:C000598580": "PUBCHEM.COMPOUND:68165256", + "GO:1903333": "GO:1903333", + "MESH:D001629": "CHEBI:47612", + "MESH:D013226": "MONDO:0002125", + "GO:0006470": "GO:0006470", + "MESH:D002862": "MONDO:0015908", + "UniProtKB:P07988": "UniProtKB:P07988", + "GO:0061436": "GO:0061436", + "MESH:C021139": "CHEBI:142290", + "REACT:R-HSA-400511": "REACT:R-HSA-400511", + "MESH:D000079982": "PUBCHEM.COMPOUND:168322462", + "MESH:D006561": "MONDO:0004609", + "GO:0001503": "GO:0001503", + "MESH:C011550": "CHEBI:135533", + "UniProtKB:Q05486": "UniProtKB:Q05486", + "MESH:D010383": "MONDO:0019975", + "GO:0007168": "GO:0007168", + "GO:0036376": "GO:0036376", + "GO:0034381": "GO:0034381", + "GO:0061535": "GO:0061535", + "GO:0004890": "GO:0004890", + "MESH:D007538": "CHEBI:6030", + "MESH:D004155": "CHEBI:4636", + "GO:0035623": "GO:0035623", + "UniProtKB:Q15878": "UniProtKB:Q15878", + "UniProtKB:Q5NHU4": "UniProtKB:Q5NHU4", + "GO:0006939": "GO:0006939", + "MESH:D000069036": "PUBCHEM.COMPOUND:118984454", + "MESH:D000068900": "CHEBI:40237", + "MESH:D000196": "MONDO:0005631", + "MESH:D002220": "CHEBI:3387", + "NCBITaxon:51028": "NCBITaxon:51028", + "GO:0099530": "GO:0099530", + "GO:0070561": "GO:0070561", + "MESH:C533287": "UNII:F6RJL8B278", + "NCBITaxon:10407": "NCBITaxon:10407", + "MESH:C048833": "MESH:C048833", + "REACT:R-HSA-5673001": "REACT:R-HSA-5673001", + "MESH:C484071": "CHEBI:135957", + "UniProtKB:Q13621": "UniProtKB:Q13621", + "MESH:C062843": "PUBCHEM.COMPOUND:45266502", + "MESH:C027871": "CHEBI:135951", + "MESH:D010188": "MONDO:0001684", + "MESH:D010396": "CHEBI:7959", + "MESH:D008118": "MONDO:0016566", + "MESH:D013006": "PUBCHEM.COMPOUND:168009821", + "GO:0001516": "GO:0001516", + "GO:0000028": "GO:0000028", + "MESH:D001168": "MONDO:0005578", + "MESH:C016811": "PUBCHEM.COMPOUND:71388", + "MESH:D016753": "MESH:D016753", + "MESH:D005475": "CHEBI:10454", + "MESH:D052556": "MONDO:0018982", + "MESH:D014006": "UMLS:C0040250", + "MESH:D007896": "MONDO:0011989", + "MESH:C527525": "CHEBI:68540", + "MESH:D009525": "CHEBI:15940", + "MESH:C100162": "CHEBI:2401", + "UniProtKB:Q9NRF9": "UniProtKB:Q9NRF9", + "MESH:D008796": "HP:0100608", + "GO:0097279": "GO:0097279", + "MESH:D011470": "MONDO:0010811", + "MESH:D000077425": "CHEBI:61033", + "HP:0000518": "MONDO:0005129", + "MESH:D010019": "MONDO:0005246", + "MESH:D000069283": "UNII:4F4X42SYQ6", + "MESH:C000599459": "PUBCHEM.COMPOUND:91663255", + "UniProtKB:P08922": "UniProtKB:P08922", + "UniProtKB:P41595": "UniProtKB:P41595", + "GO:0097744": "GO:0097744", + "GO:0061529": "GO:0061529", + "UniProtKB:P30518": "UniProtKB:P30518", + "MESH:D002217": "PUBCHEM.COMPOUND:5831", + "MESH:D009248": "CHEBI:7444", + "MESH:D005492": "CHEBI:27470", + "MESH:D002047": "CHEBI:3216", + "UBERON:0001981": "UBERON:0001981" +} \ No newline at end of file diff --git a/utils/normalizer/output/unique_failed_prefixes.json b/utils/normalizer/output/unique_failed_prefixes.json new file mode 100644 index 000000000..b8cc98add --- /dev/null +++ b/utils/normalizer/output/unique_failed_prefixes.json @@ -0,0 +1,12 @@ +[ + "MESH", + "InterPro", + "CHEBI", + "GO", + "UniProtKB", + "Pfam", + "TIGR", + "DrugBank", + "NCBITaxon", + "REACT" +] \ No newline at end of file