Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | MKNK1 | Q9BUB5 | 5/20 | 0.58 |
| ▸ | MKNK2 | Q9HBH9 | 5/20 | 0.58 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.58 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.58 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.58 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.58 |
| ▸ | KIF11 | P52732 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.50 |
| ▸ | AXL | P30530 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9974924 | 1.00 | CYP2A6 (0.62) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL14655793 | 0.96 | CYP2A6 (0.68) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL9974941 | 0.94 | MKNK1 (0.66) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL9974950 | 0.93 | CYP11B2 (0.56) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL9974983 | 0.90 | CYP2A6 (0.60) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL9974942 | 0.90 | CYP2A6 (0.60) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL29468039 | 0.89 | CYP2A6 (0.79) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL3400752 | 0.89 | CYP2A6 (0.79) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL9974958 | 0.88 | CYP2A6 (0.73) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL9974921 | 0.88 | CYP19A1 (0.51) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 |
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 |