Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 8/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.36 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | TERT | O14746 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28161824 | 0.98 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL27827135 | 0.95 | CYP3A4 (0.49) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL27827138 | 0.87 | TAAR1 (0.41) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL8220822 | 0.83 | TBXAS1 (0.46) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2908012 | 0.80 | — | — | |
| SCHEMBL27404265 | 0.78 | TAAR1 (0.42) | TAAR1HTR1AALOX15TERT | |
| SCHEMBL593689 | 0.78 | CYP3A4 (0.46) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| Pyrrolidine SCHEMBL27896656 | 0.78 | ALOX15 (0.37) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL31616999 | 0.77 | TERT (0.41) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2776439 | 0.77 | ALOX15 (0.38) | CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9 |
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-104447557-B | A kind of preparation method of N arylpyrazoles compound and N aryl imidazoles | 苏州大学 | 2017-08-25 | — | — | CN | disclosed |