Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 14/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.56 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | CDK7 | P50613 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 3/20 | 0.42 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 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 | 0.87 | CYP17A1 (0.68) | CYP17A1CYP3A4 | |
| SCHEMBL5688557 | 0.82 | CYP17A1 (0.51) | CYP17A1CYP3A4 | |
| SCHEMBL5689340 | 0.80 | CYP17A1 (0.47) | CYP17A1CYP3A4PIM1PIM2 | |
| SCHEMBL5691318 | 0.79 | CYP17A1 (0.58) | CYP17A1CYP3A4 | |
| SCHEMBL7537438 | 0.79 | CYP17A1 (0.65) | CYP17A1CYP3A4 | |
| SCHEMBL7537443 | 0.79 | CYP17A1 (0.65) | CYP17A1CYP3A4 | |
| SCHEMBL4025212 | 0.79 | CYP17A1 (0.65) | CYP17A1CYP3A4 | |
| SCHEMBL4025340 | 0.79 | CYP17A1 (0.65) | CYP17A1CYP3A4 | |
| SCHEMBL5688423 | 0.79 | CYP17A1 (0.46) | CYP17A1CYP3A4 | |
| SCHEMBL5688992 | 0.78 | CYP3A4 (0.56) | 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 |