Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT2 | Q8IXJ6 | 14/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4028694 | 0.89 | CYP3A4 (0.38) | SIRT2CYP17A1CYP3A4ENPP2RORC | |
| SCHEMBL5688831 | 0.88 | SIRT2 (0.42) | SIRT2CYP17A1CYP3A4ENPP2RORC | |
| SCHEMBL7818622 | 0.84 | CYP3A4 (0.35) | SIRT2CYP17A1CYP3A4RORCALOX5 | |
| SCHEMBL5691070 | 0.84 | MGLL (0.37) | SIRT2CYP17A1CYP3A4ENPP2RORC | |
| SCHEMBL5691057 | 0.82 | CYP17A1 (0.43) | SIRT2CYP17A1CYP3A4ENPP2RORC | |
| SCHEMBL5688405 | 0.82 | CYP17A1 (0.46) | SIRT2CYP17A1CYP3A4ENPP2RORC | |
| SCHEMBL5688233 | 0.82 | CYP3A4 (0.48) | SIRT2CYP17A1CYP3A4ENPP2RORC | |
| SCHEMBL5689298 | 0.81 | CYP17A1 (0.43) | SIRT2CYP17A1CYP3A4ENPP2RORC | |
| SCHEMBL5688667 | 0.81 | CYP17A1 (0.40) | SIRT2CYP17A1CYP3A4ENPP2RORC | |
| SCHEMBL5688756 | 0.81 | CYP17A1 (0.52) | SIRT2CYP17A1CYP3A4ENPP2RORC |
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 |