PTS (Pharmaceutical Target Seeker)

  Identifying protein targets for bioactive agents is critical for drug discovery. Therefore, we build PTS (Pharmaceutical Target Seeker) webserver to help researchers predicting targets conveniently.
  Structurally similar molecules may act on same targets. PTS calculates the similarity between query molecule and 300,000 ligands with known targets. Then, the predicted targets will be recommended in the order of similarity scores.

Reference: Ding, P., Yan, X., Liu, Z., Du, J., Du, Y., Lu, Y., ... & Xu, J. (2017). PTS: a pharmaceutical target seeker. Database, 2017.

Tamoxifen superimposed with ligand in estrogen receptor alpha (PDB code:1XQC)

Applications

  • Drug repositioning
  • Polypharmacology
  • Target identification of bioactive compound
  • Toxicity and side effects prediction

Statistics

  • Total compounds:266866
  • Targets:2298
  • Activity records:537095
  • PDB:4391
  • References:16590

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