Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.56 |
| ▸ | CYP17A1 | P05093 | 7/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 2/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.45 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.43 |
| ▸ | PRKD1 | Q15139 | 2/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5688304 | 0.91 | CYP17A1 (0.68) | CYP3A4CYP17A1 | |
| SCHEMBL5688568 | 0.88 | CYP17A1 (0.53) | CYP3A4CYP17A1ROCK2ROCK1 | |
| SCHEMBL5688798 | 0.88 | CYP17A1 (0.54) | CYP3A4CYP17A1CYP3A5RIPK1 | |
| SCHEMBL5691032 | 0.86 | CYP17A1 (0.52) | CYP3A4CYP17A1ROCK2ROCK1RIPK1 | |
| SCHEMBL5691318 | 0.83 | CYP17A1 (0.58) | CYP3A4CYP17A1 | |
| SCHEMBL4029239 | 0.82 | CYP17A1 (0.66) | CYP3A4CYP17A1NPSR1 | |
| SCHEMBL4025132 | 0.82 | CYP17A1 (0.66) | CYP3A4CYP17A1NPSR1 | |
| SCHEMBL7563594 | 0.81 | CYP17A1 (0.66) | CYP3A4CYP17A1 | |
| SCHEMBL5688564 | 0.81 | CYP17A1 (0.66) | CYP3A4CYP17A1 | |
| SCHEMBL5688705 | 0.81 | CYP17A1 (0.44) | CYP3A4CYP17A1ERN1 |
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 |