Drug2Gene

Other names: drug2gene

Drug2Gene is a free multi-species drug-target knowledge base. It contains integrated and unified data of publicly available relations between drugs/compounds and their gene/protein targets gathered from 20 publicly available bio- and chemoinformatics resources (12 of which contain drug-target interaction data). Redundancy in target, compound and relation data is removed by unification procedures merging in a single entry identical compound-target interactions scattered among separate sources. The NCBI Gene is used as the primary gene identification source. The chemical information is gathered and unified from several primary sources, some of which are ChEMBL, ChEBI, PubChem, DrugBank, based on variable compound information available in each source database (compound structure, database cross-references, CAS Number, InChI , compound names and synonyms, compound formulas, etc.). All bio-activity data is standardized according to the SI metric system. Additional homology-inferred relations based on gene homology groups from NCBI HomoloGene contribute to extending the set of possible targets for a drug or the set of available active compounds for a given gene. By providing a single access point to numerous publicly available, as well as predicted compound-target interactions, Drug2Gene facilitates the drug discovery process by enabling: a) identification of all known compounds targeting a given gene or gene product, b) identification of all known targets of a given drug, c) identification of novel applications for already approved/known drugs (drug repositioning), d) prediction of unwanted or unintended side effects.

Webpage:
http://drug2gene.com

Publications:

Tags:

molecular biology drug drug discovery medicinal chemistry drug development small molecule

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