Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 9/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL9804872 | 0.85 | TERT (0.38) | CYP19A1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL9805022 | 0.80 | CYP19A1 (0.59) | CYP19A1CYP3A4ATM | |
| SCHEMBL9804705 | 0.79 | CYP19A1 (0.39) | CYP19A1 | |
| SCHEMBL9804674 | 0.78 | CYP19A1 (0.49) | CYP19A1CYP3A4 | |
| SCHEMBL9804729 | 0.75 | CYP19A1 (0.52) | CYP19A1CYP3A4ATM | |
| SCHEMBL9804803 | 0.73 | CYP19A1 (0.36) | CYP19A1 | |
| SCHEMBL9804733 | 0.73 | CYP19A1 (0.47) | CYP19A1CYP3A4LMNA | |
| SCHEMBL10371540 | 0.72 | NPC1 (0.41) | CYP19A1CYP1A2CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL9557296 | 0.72 | KMT2A (0.48) | CYP19A1CYP1A2CYP3A4CYP2C19CYP2D6 | |
| SCHEMBL9804907 | 0.72 | CYP19A1 (0.43) | CYP19A1CYP3A4 |
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 |