Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 13/20 | 0.59 |
| ▸ | KIF11 | P52732 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9804729 | 0.94 | CYP19A1 (0.52) | CYP19A1KIF11CYP3A4CYP3A5ATM | |
| SCHEMBL9804674 | 0.93 | CYP19A1 (0.49) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL9804866 | 0.84 | CYP19A1 (0.45) | CYP19A1CYP3A4CYP3A5ATM | |
| SCHEMBL9804856 | 0.83 | CYP19A1 (0.46) | CYP19A1KIF11CYP3A4 | |
| SCHEMBL9804822 | 0.82 | CYP19A1 (0.42) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL9804907 | 0.80 | CYP19A1 (0.43) | CYP19A1CYP3A4CYP3A5 | |
| SCHEMBL9804681 | 0.80 | CYP19A1 (0.40) | CYP19A1CYP3A4ATM | |
| SCHEMBL9804836 | 0.79 | EBP (0.41) | CYP19A1CYP3A4ATM | |
| SCHEMBL9804896 | 0.78 | ATM (0.37) | CYP19A1CYP3A4ATM | |
| SCHEMBL10369609 | 0.78 | CYP3A4 (0.44) | CYP19A1CYP3A4CYP3A5 |
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 1 patent. 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 |