Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 13/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.58 |
| ▸ | CYP2E1 | P05181 | 6/20 | 0.58 |
| ▸ | CYP2B6 | P20813 | 6/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.58 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.54 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL29854440 | 0.86 | CYP2A6 (0.73) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL9200850 | 0.84 | CYP2A6 (0.66) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL999865 | 0.82 | CYP2A6 (0.68) | CYP2A6CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL24871111 | 0.82 | CYP2A6 (0.68) | CYP2A6CYP3A4CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL12402387 | 0.81 | CYP2A6 (0.61) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL23004796 | 0.80 | RAB9A (0.50) | CYP2C19CYP2C9CYP3A4CYP2D6HDAC3 | |
| SCHEMBL10041710 | 0.80 | ALDH1A1 (0.64) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL6416737 | 0.79 | APP (0.55) | CYP2A6ALDH1A1 | |
| SCHEMBL14192244 | 0.78 | ALDH1A1 (0.68) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 | |
| SCHEMBL12700858 | 0.78 | ALDH1A1 (0.61) | CYP2A6CYP2C19CYP2C9CYP3A4CYP2E1 |
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-112920177-A | Aromatic monoamine compound, cover material, and light-emitting element | 东丽先端材料研究开发（中国）有限公司 | 2021-06-08 | — | — | CN | disclosed |