Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.39 |
| ▸ | CCR1 | P32246 | 3/20 | 0.37 |
| ▸ | EBP | Q15125 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL9804742 | 0.86 | CYP19A1 (0.39) | CYP19A1CCR1KDM4EALDH1A1KMT2A | |
| SCHEMBL9804675 | 0.85 | CYP2C9 (0.39) | CYP19A1CCR1EBPSIGMAR1CYP2D6 | |
| SCHEMBL9804805 | 0.84 | CYP19A1 (0.40) | CYP19A1KDM4EALDH1A1KMT2ACYP2C9 | |
| SCHEMBL10371879 | 0.82 | CYP19A1 (0.36) | CYP19A1CCR1EBPSIGMAR1ALDH1A1 | |
| SCHEMBL9804963 | 0.82 | CYP19A1 (0.42) | CYP19A1KDM4EALDH1A1KMT2ACYP2D6 | |
| SCHEMBL9804907 | 0.81 | CYP19A1 (0.43) | CYP19A1CCR1EBPSIGMAR1ALDH1A1 | |
| SCHEMBL10372451 | 0.80 | TDP1 (0.45) | CYP19A1CCR1EBPSIGMAR1CYP2C9 | |
| SCHEMBL9804704 | 0.80 | KDM4E (0.34) | KDM4EALDH1A1CYP2D6 | |
| SCHEMBL9804779 | 0.79 | CCR1 (0.36) | CYP19A1CCR1EBPSIGMAR1ALDH1A1 | |
| SCHEMBL9804856 | 0.79 | CYP19A1 (0.46) | CYP19A1KDM4EALDH1A1KMT2ACYP2C9 |
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 |