Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | EBP | Q15125 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9804810 | 0.85 | CYP19A1 (0.39) | CYP2C9CYP2C19CYP2D6CYP19A1EBP | |
| SCHEMBL9804855 | 0.82 | EBP (0.41) | CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1 | |
| SCHEMBL9804889 | 0.79 | CYP1A2 (0.37) | CYP2C9CYP2C19CYP2D6CYP3A4EBP | |
| SCHEMBL9804704 | 0.78 | KDM4E (0.34) | CYP2D6CYP17A1 | |
| SCHEMBL10371783 | 0.77 | CYP3A4 (0.44) | CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1 | |
| SCHEMBL9804757 | 0.77 | TLR7 (0.36) | EBPSIGMAR1CNR1CNR2TLR7 | |
| SCHEMBL9804823 | 0.76 | EBP (0.39) | CYP2C9CYP2C19CYP2D6CYP3A4CYP19A1 | |
| SCHEMBL51900 | 0.73 | EBP (0.59) | CYP2D6CYP3A4EBPSIGMAR1KIF11 | |
| SCHEMBL9804742 | 0.72 | CYP19A1 (0.39) | CYP19A1CCR1 | |
| SCHEMBL9804856 | 0.72 | CYP19A1 (0.46) | CYP2C9CYP2C19CYP3A4CYP19A1KIF11 |
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 4 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-A1 | (2-Cyano-2-(phenyl or naphthyl)-2-substituted-ethyl) pyrazines, pyrimidines and pyridazines | ROHM AND HAAS COMPANY (US) | 1988-08-03 | — | — | 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 |
| EP-0276920-A1 | (2-Cyano-2-(phenyl or naphthyl)-2-substituted-ethyl) pyrazines, pyrimidines and pyridazines | ROHM AND HAAS COMPANY (US) | 1988-08-03 | — | — | EP | disclosed |