Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | F2R | P25116 | 1/20 | 0.43 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.41 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PTGES | O14684 | 3/20 | 0.40 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.40 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27993155 | 0.85 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27993394 | 0.81 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27993165 | 0.81 | CYP1A2 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27993157 | 0.79 | MEN1 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27993161 | 0.79 | PGK1 (0.45) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11651996 | 0.75 | PGK1 (0.50) | CACNA1CSCN5A | |
| SCHEMBL5745561 | 0.74 | PGK1 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL29151334 | 0.73 | MAPT (0.55) | CYP1A2KDM4ELMNAGAAALDH1A1 | |
| SCHEMBL30354938 | 0.73 | MAPT (0.55) | CYP1A2KDM4ELMNAGAAALDH1A1 | |
| SCHEMBL27986798 | 0.72 | MEN1 (0.42) | CYP2C19GAAALDH1A1HPGD |
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-104163791-A | N-pyridine (hetero) aryl amide compound and preparation method and application thereof | HUNAN RES INST CHEMICAL IND | 2014-11-26 | — | — | CN | claimed |
| CN-104163791-A | N-pyridine (hetero) aryl amide compound and preparation method and application thereof | HUNAN RES INST CHEMICAL IND | 2014-11-26 | — | — | CN | disclosed |