Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 6/20 | 0.45 |
| ▸ | P2RY12 | Q9H244 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | ULK1 | O75385 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | SUCNR1 | Q9BXA5 | 5/20 | 0.38 |
| ▸ | CTSA | P10619 | 1/20 | 0.37 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5688981 | 0.89 | CYP17A1 (0.45) | CYP17A1CYP3A4CNR2CTSASCN9A | |
| SCHEMBL5688705 | 0.88 | CYP17A1 (0.44) | CYP17A1P2RY12CYP3A4CNR2SUCNR1 | |
| SCHEMBL5688798 | 0.82 | CYP17A1 (0.54) | CYP17A1CYP3A4ULK1 | |
| SCHEMBL5688682 | 0.81 | CYP17A1 (0.67) | CYP17A1CYP3A4CNR2SCN9A | |
| SCHEMBL5690711 | 0.78 | P2RY12 (0.41) | CYP17A1P2RY12CNR2SUCNR1CTSA | |
| SCHEMBL4023743 | 0.76 | CYP17A1 (0.67) | CYP17A1CYP3A4 | |
| SCHEMBL4024213 | 0.76 | CYP17A1 (0.67) | CYP17A1CYP3A4 | |
| SCHEMBL18770487 | 0.74 | CYP17A1 (0.63) | CYP17A1CYP3A4 | |
| SCHEMBL5688522 | 0.73 | CYP17A1 (0.57) | CYP17A1CYP3A4 | |
| SCHEMBL5688634 | 0.73 | CYP17A1 (0.52) | CYP17A1CYP3A4 |
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 |