Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.31 |
| ▸ | CDC42 | P60953 | 1/20 | 0.31 |
| ▸ | RAC1 | P63000 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SLC22A6 | Q4U2R8 | 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 | |
|---|---|---|---|---|
| SCHEMBL13848919 | 0.84 | ACHE (0.34) | CYP17A1CYP2C9CYP2C19ACHEL3MBTL1 | |
| SCHEMBL4560721 | 0.80 | CYP17A1 (0.44) | CYP17A1CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL5752958 | 0.75 | SRD5A1 (0.44) | — | |
| SCHEMBL2100807 | 0.70 | FFAR1 (0.33) | TSHR | |
| SCHEMBL5752670 | 0.70 | ABCB11 (0.42) | CYP2C9CYP1A2AKR1C3AKR1C2L3MBTL1 | |
| SCHEMBL5750067 | 0.70 | ABCB11 (0.43) | CYP2C9CYP1A2AKR1C3AKR1C2L3MBTL1 | |
| SCHEMBL25627482 | 0.69 | CYP1A2 (0.57) | CYP17A1CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL4559439 | 0.69 | CYP17A1 (0.38) | CYP17A1CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL12498465 | 0.69 | CYP1A2 (0.53) | CYP17A1CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL8545638 | 0.68 | KIF11 (0.55) | CYP17A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1222174-B1 | IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE | TAKEDA PHARMACEUTICAL (JP) | 2009-05-27 | — | — | EP | disclosed |