Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EBP | Q15125 | 3/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9804794 | 0.91 | CYP19A1 (0.37) | EBPSIGMAR1DRD2DRD4OPRM1 | |
| SCHEMBL9804805 | 0.84 | CYP19A1 (0.40) | CYP1A2CYP2C9CYP2C19ALDH1A1MEN1 | |
| SCHEMBL9804718 | 0.82 | PIEZO1 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19VNN1 | |
| SCHEMBL9804889 | 0.82 | CYP1A2 (0.37) | EBPSIGMAR1DRD2DRD4OPRM1 | |
| SCHEMBL9804836 | 0.81 | EBP (0.41) | EBPSIGMAR1DRD2DRD4OPRM1 | |
| SCHEMBL9804667 | 0.79 | CYP19A1 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL9804856 | 0.79 | CYP19A1 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL10371112 | 0.79 | CYP3A4 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL9804735 | 0.78 | CYP19A1 (0.42) | MEN1KMT2ACYP19A1VNN1 | |
| SCHEMBL9804916 | 0.78 | CYP19A1 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 |
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 |