Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9804866 | 0.88 | CYP19A1 (0.45) | CYP19A1CYP3A4CYP3A5ALDH1A1CTSL | |
| SCHEMBL9804822 | 0.86 | CYP19A1 (0.42) | CYP19A1CYP3A4CYP3A5ALDH1A1CTSL | |
| SCHEMBL9804841 | 0.84 | CYP3A4 (0.38) | CYP19A1CYP3A4CYP3A5ALDH1A1NR1D1 | |
| SCHEMBL9804762 | 0.81 | CTSC (0.39) | CYP19A1CNR1 | |
| SCHEMBL9557095 | 0.79 | ALDH1A1 (0.53) | CYP19A1CYP3A4ALDH1A1 | |
| SCHEMBL9804733 | 0.79 | CYP19A1 (0.47) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL9804830 | 0.79 | CYP19A1 (0.39) | CYP19A1CNR1ALDH1A1 | |
| SCHEMBL9804729 | 0.79 | CYP19A1 (0.52) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL9804836 | 0.78 | EBP (0.41) | CYP19A1CYP3A4ALDH1A1CTSL | |
| SCHEMBL9804674 | 0.77 | CYP19A1 (0.49) | CYP19A1CYP3A4CYP3A5 |
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 | 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 |