Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 6/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.46 |
| ▸ | PTPN5 | P54829 | 4/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 7/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5688756 | 0.90 | CYP17A1 (0.52) | CYP17A1CYP3A4PTPN5ENPP2RORC | |
| SCHEMBL5688995 | 0.90 | CYP17A1 (0.52) | CYP17A1CYP3A4PTPN5FLT3ENPP2 | |
| SCHEMBL5688671 | 0.89 | CYP17A1 (0.44) | CYP17A1CYP3A4PTPN5RORCPTPN1 | |
| SCHEMBL5688233 | 0.89 | CYP3A4 (0.48) | CYP17A1CYP3A4PTPN5ENPP2RORC | |
| SCHEMBL5689382 | 0.88 | CYP17A1 (0.43) | CYP17A1CYP3A4PTPN5ENPP2RORC | |
| SCHEMBL5691057 | 0.87 | CYP17A1 (0.43) | CYP17A1CYP3A4PTPN5ENPP2RORC | |
| SCHEMBL4025996 | 0.87 | CYP3A4 (0.41) | CYP17A1CYP3A4ENPP2RORCSIRT2 | |
| SCHEMBL5688667 | 0.86 | CYP17A1 (0.40) | CYP17A1CYP3A4PTPN5ENPP2RORC | |
| SCHEMBL5688830 | 0.86 | CYP17A1 (0.42) | CYP17A1CYP3A4PTPN5RORCPTPN1 | |
| SCHEMBL5690498 | 0.85 | CYP3A4 (0.47) | CYP17A1CYP3A4ENPP2RORCSIRT2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1227086-B1 | 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2006-03-29 | — | — | EP | disclosed |
| US-6518257-B1 | 1-substituted phenyl-1-(1h-imidazol-4-yl) alcohols, process for producing the same and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-02-11 | — | — | US | disclosed |
| EP-1227086-A1 | 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-07-31 | — | — | EP | disclosed |