Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9804704 | 0.86 | KDM4E (0.34) | KDM4EALDH1A1HPGDCYP2D6HRH1 | |
| SCHEMBL9804803 | 0.81 | CYP19A1 (0.36) | — | |
| SCHEMBL9804758 | 0.80 | CYP2D6 (0.31) | CYP2D6HRH1KCNH2 | |
| SCHEMBL9804874 | 0.77 | RORC (0.34) | KDM4EALDH1A1HPGDRORC | |
| SCHEMBL9804889 | 0.72 | CYP1A2 (0.37) | KDM4ECYP2D6HRH1 | |
| SCHEMBL9804872 | 0.72 | TERT (0.38) | KDM4EALDH1A1HPGDCYP2D6TERT | |
| SCHEMBL9804810 | 0.72 | CYP19A1 (0.39) | KDM4EALDH1A1CYP2D6 | |
| SCHEMBL10369963 | 0.71 | CYP19A1 (0.41) | CYP2D6KCNH2 | |
| SCHEMBL9804742 | 0.71 | CYP19A1 (0.39) | KDM4EALDH1A1 | |
| SCHEMBL9804805 | 0.70 | CYP19A1 (0.40) | KDM4EALDH1A1HPGDTERT |
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 |