Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.46 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | KMO | O15229 | 2/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9974960 | 0.95 | CYP2A6 (0.50) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL9974946 | 0.89 | PIM1 (0.48) | CYP2A6ALDH1A1PIM2CYP19A1CYP2C9 | |
| SCHEMBL9974997 | 0.88 | PIM1 (0.47) | CYP2A6ALDH1A1PIM2CYP19A1CYP2C9 | |
| SCHEMBL9974928 | 0.85 | CYP2A6 (0.71) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL4672073 | 0.83 | CYP2A6 (0.67) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL31140239 | 0.83 | CYP2A6 (0.67) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL9974932 | 0.83 | CYP2A6 (0.53) | CYP2A6CYP1A2CYP3A4CYP19A1CYP2C9 | |
| SCHEMBL9974953 | 0.82 | CYP2D6 (0.46) | PIM2CYP19A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL9974998 | 0.82 | PIM2 (0.45) | CYP2A6PIM2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL9975001 | 0.81 | CYP2A6 (0.47) | CYP2A6CYP1A2CYP19A1CYP2C9CYP2C19 |
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-2012081541-A1 | 1, 2, 4, 5-SUBSTITUTED PHENYL DERIVATIVE, PRODUCTION METHOD FOR SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT | 東ソー株式会社 (JP) | 2012-06-21 | — | — | WO | disclosed |