Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MKNK1 | Q9BUB5 | 4/20 | 0.49 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9974941 | 0.84 | MKNK1 (0.66) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL21647912 | 0.84 | CYP2A6 (0.79) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL30187061 | 0.84 | CYP2A6 (0.70) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL16694670 | 0.84 | CYP2A6 (0.70) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL25871461 | 0.84 | CYP11B1 (0.53) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL25871404 | 0.82 | CYP19A1 (0.54) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL9974965 | 0.82 | NPC1 (0.48) | CYP2A6ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL14655793 | 0.82 | CYP2A6 (0.68) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL2100709 | 0.82 | CYP2A6 (1.00) | CYP2A6ALDH1A1CYP1A2CYP3A4MKNK1 | |
| SCHEMBL9974944 | 0.81 | MKNK1 (0.56) | 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 |