Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 5/20 | 0.47 |
| ▸ | RORC | P51449 | 2/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.35 |
| ▸ | MC4R | P32245 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5688233 | 0.89 | CYP3A4 (0.48) | CYP3A4CYP17A1RORCSIRT2ENPP2 | |
| SCHEMBL5691057 | 0.85 | CYP17A1 (0.43) | CYP3A4CYP17A1RORCSIRT2ENPP2 | |
| SCHEMBL5688405 | 0.85 | CYP17A1 (0.46) | CYP3A4CYP17A1RORCSIRT2ENPP2 | |
| SCHEMBL5689298 | 0.84 | CYP17A1 (0.43) | CYP3A4CYP17A1RORCSIRT2ENPP2 | |
| SCHEMBL5688756 | 0.84 | CYP17A1 (0.52) | CYP3A4CYP17A1RORCSIRT2ENPP2 | |
| SCHEMBL5688995 | 0.84 | CYP17A1 (0.52) | CYP3A4CYP17A1RORCSIRT2ENPP2 | |
| SCHEMBL5688671 | 0.83 | CYP17A1 (0.44) | CYP3A4CYP17A1RORC | |
| SCHEMBL5688642 | 0.82 | CYP17A1 (0.41) | CYP3A4CYP17A1RORCSIRT2ENPP2 | |
| SCHEMBL5688980 | 0.82 | CYP17A1 (0.41) | CYP3A4CYP17A1RORCSIRT2ENPP2 | |
| SCHEMBL5688667 | 0.82 | CYP17A1 (0.40) | CYP3A4CYP17A1RORCSIRT2ENPP2 |
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 |