Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 9/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5689193 | 0.88 | CYP17A1 (0.42) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5689388 | 0.82 | CYP17A1 (0.39) | CYP17A1CYP3A4 | |
| SCHEMBL5689182 | 0.82 | CYP17A1 (0.44) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5689007 | 0.79 | CYP17A1 (0.58) | CYP17A1CYP3A4 | |
| SCHEMBL5690835 | 0.77 | CYP3A4 (0.41) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5750923 | 0.76 | CYP17A1 (0.47) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5689213 | 0.76 | CYP17A1 (0.48) | CYP17A1CYP3A4BRD4 | |
| SCHEMBL5688515 | 0.76 | CYP17A1 (0.63) | CYP17A1CYP3A4 | |
| SCHEMBL5690780 | 0.73 | CYP17A1 (0.49) | CYP17A1CYP3A4 | |
| SCHEMBL5688423 | 0.73 | CYP17A1 (0.46) | CYP17A1CYP3A4SYK |
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 |