Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TERT | O14746 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL9804782 | 0.94 | CYP19A1 (0.39) | CYP19A1KDM4EALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL9804856 | 0.93 | CYP19A1 (0.46) | CYP19A1KDM4EALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL9804667 | 0.93 | CYP19A1 (0.40) | CYP19A1KDM4EALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL9804805 | 0.88 | CYP19A1 (0.40) | CYP19A1KDM4EALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL9804742 | 0.83 | CYP19A1 (0.39) | CYP19A1KDM4EALDH1A1KMT2AMEN1 | |
| SCHEMBL9804794 | 0.82 | CYP19A1 (0.37) | CYP19A1KDM4EALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL9804810 | 0.82 | CYP19A1 (0.39) | CYP19A1KDM4EALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL9804674 | 0.81 | CYP19A1 (0.49) | CYP19A1ESR1ESR2 | |
| SCHEMBL9804872 | 0.80 | TERT (0.38) | CYP19A1KDM4EALDH1A1CYP1A2HPGD | |
| SCHEMBL9804841 | 0.76 | CYP3A4 (0.38) | CYP19A1KDM4EALDH1A1CYP1A2CYP2C9 |
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 |