Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 4/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.36 |
| ▸ | DUSP10 | Q9Y6W6 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 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 | |
|---|---|---|---|---|
| SCHEMBL7328164 | 0.84 | CYP2A6 (0.45) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL9565345 | 0.81 | MAPK1 (0.40) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL7440831 | 0.77 | CYP2A6 (0.44) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL9565370 | 0.76 | PDGFRB (0.46) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL7430012 | 0.75 | CYP11B1 (0.50) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL9565316 | 0.74 | CYP2A6 (0.43) | CYP2A6CYP3A4MAPK1HSP90AA1HSP90AB1 | |
| SCHEMBL7424771 | 0.70 | MAPK1 (0.48) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL20543722 | 0.69 | CYP11B1 (0.61) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL7436678 | 0.68 | CYP2A6 (0.43) | CYP2A6CYP3A4CYP2C9CYP2C19CYP2E1 | |
| SCHEMBL7438980 | 0.68 | MAPK1 (0.39) | CYP3A4CYP2D6MAPK1CYP19A1 |
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-0543245-A1 | Renin inhibiting amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1993-05-26 | — | — | EP | disclosed |