Database Of Drugs Targeting Genes

Question

[Dataminer]

Hi!

I have a set of differentially expressed genes and I want to know what drug(s) can target these genes.

This can be a single drug targeting a single gene (something like one to one mapping) or a group of genes targeted by a group of drugs (many to many mapping or one to many mapping).

A database housing such an information would be of great help.

Any suggestions?

Thank you

[Niallhaslam]

Did you see this question? http://biostar.stackexchange.com/questions/17438/drug-drug-protein-target-database

Answer 1

[Raymond301]

1. DrugBank (1572 Drugs) :http://www.drugbank.ca/downloads
   • includes external identifiers: CAS, UniProt, PhamGKB, TTD
2. TTD: Therapeutic Target Database (3199 Drugs) :http://bidd.nus.edu.sg/group/cjttd/TTD_Download.asp
   • includes many synonyms!
3. PhamGKB (1885 Drugs):http://www.pharmgkb.org/resources/downloads_and_web_services.jsp
   • use genes.tsv, drugs.tsv, relationships.tsv. ** There is the option to get genotype-SNV linking directly to drug, with requested license.
4. Chembl (1,143,682 compounds):https://www.ebi.ac.uk/chembldb/index.php/downloads
   • Usable through .json or xml API ** important to note that the relationship is Compound(drug) to it's bio-activities which in turn are linked to Target(gene) OR Assay(evidence of interaction)

-> I suggest developed a web-scraping pipeline to automatically grab, merge & sort all of these sources into a simple database model of gene->connector<-drug, because the UNION of all of the drugs & interactions is greater than any one source.

-> DrugBank has ids of both TTD & PharmGKB, TTD & Drugbank have only 1335 Drugs in common though, so the merge is worth it.

[Dataminer]

Aha What an idea ... Superlike +1

[Quak]

is there any update on this answer ? there must have been such a project going on in this 2 years.

[Obi Griffith]

Have you seen this question which is linked to multiple places in this thread: Drug To Target/Gene/Protein Interaction Databases. In response to this idea, DGIdb was created. Please visit www.dgidb.org

[Shicheng Guo]

any update to the full list?

Answer 2

[Malachi Griffith]

There is a fairly extensive discussion of this in a related post here.

Answer 3

[Will]

Personally I use the ChEMBL database (https://www.ebi.ac.uk/chembl/) for this ... but STITCH (www.ncbi.nlm.nih.gov/pubmed/19897548) is also a good choice.

Answer 4

[Obi Griffith]

The Connectivity Map might be useful. You can upload a 'signature', consisting of a list of up- and down-expressed genes. It returns drugs (or drug and cell line combinations) for which that same signature (or anti-signature) was observed in controlled expression experiments. So, its not exactly what you are asking for, but related.

[Dataminer]

This is what I wanted as my result let me try it .... :)

[Obi Griffith]

Glad to help. If it works, come back an give us a +1. ;-)

[Dataminer]

+1 nice one :)

Answer 5

[Denise CS]

Have a look at Open Targets and its Platform for drug target identification. Data is available via our API as well.

Answer 6

[Dataminer]

METADOR http://matador.embl.de/proteins/9606.ENSP00000265052/

STITCH DATABASE