Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | VNN1 | O95497 | 2/20 | 0.35 |
| ▸ | EBP | Q15125 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL9804823 | 0.82 | EBP (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL9804667 | 0.80 | CYP19A1 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19CCR1 | |
| SCHEMBL9804675 | 0.79 | CYP2C9 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19CCR1 | |
| SCHEMBL9804704 | 0.78 | KDM4E (0.34) | CYP2D6HRH1KDM4E | |
| SCHEMBL9804896 | 0.78 | ATM (0.37) | CYP1A2CYP3A4CYP2C9CYP2C19CCR1 | |
| SCHEMBL9804718 | 0.78 | PIEZO1 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19VNN1 | |
| SCHEMBL9804856 | 0.77 | CYP19A1 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL13271382 | 0.77 | CYP2D6 (0.44) | CYP3A4CYP2C19CCR1EBPSIGMAR1 | |
| SCHEMBL9804794 | 0.77 | CYP19A1 (0.37) | CYP1A2CYP2C9CYP2C19CCR1EBP | |
| SCHEMBL9804637 | 0.77 | CTDSP1 (0.35) | CYP1A2CYP3A4CCR1VNN1EBP |
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 |