Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.42 |
| ▸ | NR2E1 | Q9Y466 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | IDH2 | P48735 | 1/20 | 0.37 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5688723 | 0.90 | CYP17A1 (0.44) | CYP3A4CYP17A1SYK | |
| SCHEMBL5689005 | 0.88 | CYP17A1 (0.55) | CYP3A4CYP17A1FYNSYK | |
| SCHEMBL5688259 | 0.88 | CYP17A1 (0.50) | CYP3A4CYP17A1CYP2C19ALDH1A1HPGD | |
| SCHEMBL5690727 | 0.85 | CYP17A1 (0.47) | CYP3A4CYP17A1ALDH1A1FYNSYK | |
| SCHEMBL5688662 | 0.83 | CYP17A1 (0.40) | CYP3A4CYP17A1CYP2C19ALDH1A1CYP2C9 | |
| SCHEMBL5688641 | 0.83 | JAK2 (0.41) | CYP3A4CYP17A1CYP2C19ALDH1A1HPGD | |
| SCHEMBL5688707 | 0.82 | CYP17A1 (0.40) | CYP3A4CYP17A1 | |
| SCHEMBL5688671 | 0.81 | CYP17A1 (0.44) | CYP3A4CYP17A1ALDH1A1 | |
| SCHEMBL4030863 | 0.81 | CYP17A1 (0.52) | CYP3A4CYP17A1 | |
| SCHEMBL5691077 | 0.80 | CYP17A1 (0.39) | CYP3A4CYP17A1FYN |
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 |