Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | AR | P10275 | 11/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.60 |
| ▸ | ALB | P02768 | 1/20 | 0.60 |
| ▸ | PGR | P06401 | 1/20 | 0.60 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.60 |
| ▸ | GHSR | Q92847 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL18720887 | 1.00 | CYP2C19 (0.62) | CYP2C19CYP3A4CYP2C9ALDH1A1HPGD | |
| SCHEMBL17381289 | 0.86 | CYP2C19 (0.83) | CYP2C19CYP3A4CYP2C9ALDH1A1HPGD | |
| SCHEMBL4620937 | 0.86 | CYP2C19 (0.83) | CYP2C19CYP3A4CYP2C9ALDH1A1HPGD | |
| SCHEMBL7074011 | 0.85 | AR (0.62) | CYP2C19CYP3A4CYP2C9ALDH1A1HPGD | |
| SCHEMBL18720886 | 0.84 | AR (0.77) | CYP2C19CYP3A4CYP2C9ALDH1A1HPGD | |
| SCHEMBL6769180 | 0.82 | GHSR (0.53) | CYP2C19CYP3A4CYP2C9ALDH1A1HPGD | |
| SCHEMBL18720880 | 0.81 | AR (0.66) | CYP2C19CYP3A4CYP2C9ALDH1A1HPGD | |
| SCHEMBL17381241 | 0.81 | AR (0.74) | CYP2C19ARABCB11ALBPGR | |
| SCHEMBL14559210 | 0.81 | AR (0.74) | CYP2C19ARABCB11ALBPGR | |
| SCHEMBL18720853 | 0.80 | AR (0.67) | CYP2C19CYP3A4CYP2C9ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003043630-A1 | SOLID PHARMACEUTICAL COMPOSITION COMPRISING 4-CYANO-TRIFLUORO-3-(4-FLUOROPHENYL SULPHONYL)-2-HYDROXY-2-METHYLPROPIONO- M TOLUIDIDE, PVP, AN ANTI-OESTROGEN AND/OR AN AROMATASE INHIBITOR | ASTRAZENECA UK LIMITED (GB) | 2003-05-30 | — | — | WO | claimed |