Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15344926 | 0.82 | ELANE (0.50) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL22554117 | 0.81 | CYP2A6 (0.44) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL15333175 | 0.81 | GSK3B (0.46) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL15341781 | 0.79 | CYP2A6 (0.43) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL28554318 | 0.75 | TAF1 (0.38) | BRD4 | |
| SCHEMBL30730845 | 0.75 | TAF1 (0.38) | BRD4 | |
| SCHEMBL15333327 | 0.74 | ELANE (0.39) | CYP2A6CYP2E1CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL22554223 | 0.73 | MAP3K5 (0.45) | CYP11B1 | |
| SCHEMBL22554136 | 0.72 | BRD4 (0.41) | ALDH1A1TSHRBRD4 | |
| SCHEMBL30252978 | 0.69 | CYP2A6 (0.43) | CYP2A6KIF11ALDH1A1CYP3A4GABRA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112088157-B | Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors | 拉文纳制药公司 | 2023-12-26 | — | — | CN | claimed |
| CN-112088157-B | Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors | 拉文纳制药公司 | 2023-12-26 | — | — | CN | disclosed |