Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 10/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 5/20 | 1.00 |
| ▸ | CYP2C9 | P11712 | 4/20 | 1.00 |
| ▸ | CYP2B6 | P20813 | 4/20 | 1.00 |
| ▸ | CYP2E1 | P05181 | 3/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.67 |
| ▸ | HPGD | P15428 | 4/20 | 0.67 |
| ▸ | RAB9A | P51151 | 2/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | FYN | P06241 | 1/20 | 0.55 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.55 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.52 |
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 | 1.00 | CYP2A6 (1.00) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL19219088 | 0.92 | CYP2A6 (0.85) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL9192615 | 0.87 | CYP2A6 (0.76) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL28373020 | 0.86 | CYP2A6 (0.74) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| Pyridine SCHEMBL30984530 | 0.83 | CYP3A4 (0.70) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL28511535 | 0.82 | CYP2A6 (0.69) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL23004809 | 0.82 | CYP2E1 (0.69) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL9058679 | 0.81 | RAB9A (1.00) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL1357023 | 0.80 | CYP2A6 (0.67) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 | |
| SCHEMBL18789395 | 0.80 | CYP3A4 (0.67) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2E1 |
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-110003271-B | Process for producing aromatic compound | 住友化学株式会社 | 2022-05-03 | — | — | CN | disclosed |