Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.74 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.74 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.74 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | FYN | P06241 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | ATR | Q13535 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 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 | |
|---|---|---|---|---|
| SCHEMBL158705 | 0.86 | CYP2A6 (1.00) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL29590048 | 0.86 | CYP2A6 (1.00) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL19219088 | 0.83 | CYP2A6 (0.85) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL10160337 | 0.83 | KDM4E (0.55) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL8935802 | 0.82 | CYP2A6 (0.69) | CYP2A6CYP3A4ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL13917342 | 0.82 | CYP2C9 (0.53) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL10408880 | 0.81 | KDM4E (0.52) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL6279050 | 0.78 | CYP2A6 (0.63) | CYP2A6CYP3A4FYNALDH1A1CYP19A1 | |
| SCHEMBL18078701 | 0.77 | NPC1 (0.49) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL12727899 | 0.77 | KDM4E (0.52) | CYP2A6CYP3A4CYP2E1CYP2C9CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107266481-B | Material for organic electroluminescent element, display device, and lighting device | 捷恩智株式会社 | 2020-04-14 | — | — | CN | disclosed |