Drug-target interaction network

Dataset information

This is a drug-target interaction network that contains information on which genes (i.e., proteins encoded by genes) are targeted by drugs that are on the U.S. market. Drug targets are molecules that play a critical role in the transport, delivery or activation of the drug. Drug target information is widely used to facilitate computational drug target discovery, drug design, drug docking or screening, drug metabolism prediction, drug interaction prediction, and general pharmaceutical research.

This dataset considers only interactions between small chemicals (i.e., drugs) and target proteins that had been experimentally verified by biological experiments or formal pharmacological studies.

References

• Modeling polypharmacy side effects with graph convolutional networks. Marinka Zitnik, Monica Agrawal, and Jure Leskovec. Bioinformatics. 2018.
  Presented at ISMB 2018

• STITCH 5: augmenting protein–chemical interaction networks with tissue and affinity data. Szklarczyk, Damian, et al. Nucleic Acids Research. 2015.
  

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