Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIEZO1 | Q92508 | 2/20 | 0.40 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.32 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.32 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.32 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9804741 | 0.83 | CYP19A1 (0.34) | NR3C2HPSEMAOBIDO1TDP1 | |
| SCHEMBL9804823 | 0.82 | EBP (0.39) | VNN1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9804889 | 0.78 | CYP1A2 (0.37) | VNN1GRIN1GRIN2BCYP1A2CYP3A4 | |
| SCHEMBL10405109 | 0.78 | CYP3A4 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9804794 | 0.77 | CYP19A1 (0.37) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9804838 | 0.75 | VNN1 (0.38) | PIEZO1VNN1NR3C2GRIN1GRIN2B | |
| SCHEMBL9557183 | 0.73 | HSP90AA1 (0.44) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9804735 | 0.72 | CYP19A1 (0.42) | VNN1GRIN1GRIN2B | |
| SCHEMBL9804667 | 0.70 | CYP19A1 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9804805 | 0.70 | CYP19A1 (0.40) | CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0276920-B1 | (2-CYANO-2-(PHENYL OR NAPHTHYL)-2-SUBSTITUTED-ETHYL) PYRAZINES, PYRIMIDINES AND PYRIDAZINES | ROHM AND HAAS COMPANY (US) | 1991-04-03 | — | — | EP | claimed |
| EP-0276920-B1 | (2-CYANO-2-(PHENYL OR NAPHTHYL)-2-SUBSTITUTED-ETHYL) PYRAZINES, PYRIMIDINES AND PYRIDAZINES | ROHM AND HAAS COMPANY (US) | 1991-04-03 | — | — | EP | disclosed |