Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.37 |
| ▸ | TERT | O14746 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9804856 | 0.95 | CYP19A1 (0.46) | CYP19A1KDM4EALDH1A1KCNA5CYP1A2 | |
| SCHEMBL9804963 | 0.93 | CYP19A1 (0.42) | CYP19A1KDM4EALDH1A1TERTCYP1A2 | |
| SCHEMBL9804794 | 0.89 | CYP19A1 (0.37) | CYP19A1KDM4EALDH1A1TERTCCR1 | |
| SCHEMBL9804782 | 0.88 | CYP19A1 (0.39) | CYP19A1KDM4EALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL9804729 | 0.83 | CYP19A1 (0.52) | CYP19A1CCR1CYP3A4 | |
| SCHEMBL9804805 | 0.82 | CYP19A1 (0.40) | CYP19A1KDM4EALDH1A1TERTCYP1A2 | |
| SCHEMBL9804889 | 0.80 | CYP1A2 (0.37) | KDM4EKCNA5CCR1CYP1A2CYP2C9 | |
| SCHEMBL9804823 | 0.79 | EBP (0.39) | CYP19A1ALDH1A1KCNA5CYP1A2CYP2C9 | |
| SCHEMBL9804841 | 0.78 | CYP3A4 (0.38) | CYP19A1KDM4EALDH1A1TERTCYP1A2 | |
| SCHEMBL9804742 | 0.78 | CYP19A1 (0.39) | CYP19A1KDM4EALDH1A1CCR1 |
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 |