Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9565336 | 0.84 | CYP2A6 (0.41) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL7438980 | 0.84 | MAPK1 (0.39) | CYP3A4MAPK1CYP19A1CYP2D6 | |
| SCHEMBL7329991 | 0.83 | MAPK1 (0.45) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL7440831 | 0.82 | CYP2A6 (0.44) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL7333646 | 0.80 | MAPK1 (0.43) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL7430012 | 0.79 | CYP11B1 (0.50) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL9565316 | 0.78 | CYP2A6 (0.43) | CYP2A6CYP3A4MAPK1CYP19A1HSP90AA1 | |
| SCHEMBL9565364 | 0.77 | ALDH1A1 (0.50) | CYP2A6CYP3A4CYP2C9CYP2C19CYP19A1 | |
| SCHEMBL7436678 | 0.75 | CYP2A6 (0.43) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL7424771 | 0.74 | MAPK1 (0.48) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0369743-B1 | Heterocyclic amides | ZENECA LTD (GB) | 1995-04-19 | — | — | EP | disclosed |
| US-5278161-A | Racemic mixtures | HOFFMANN-LA ROCHE INC. (US) | 1994-01-11 | — | — | US | disclosed |
| US-5091425-A | Inhibitors of the catalytic action of renin | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-02-25 | — | — | US | disclosed |
| EP-0464572-A2 | Aminoacid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1992-01-08 | — | — | EP | disclosed |
| EP-0369743-A2 | Heterocyclic amides | ZENECA LIMITED (GB) | 1990-05-23 | — | — | EP | disclosed |