Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL9804705 | 0.86 | CYP19A1 (0.39) | CYP19A1GRM2 | |
| SCHEMBL9804885 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL9804758 | 0.76 | CYP2D6 (0.31) | — | |
| SCHEMBL10369963 | 0.75 | CYP19A1 (0.41) | CYP19A1 | |
| SCHEMBL9804681 | 0.73 | CYP19A1 (0.40) | CYP19A1 | |
| SCHEMBL10405751 | 0.72 | CYP3A4 (0.39) | — | |
| SCHEMBL9804896 | 0.72 | ATM (0.37) | CYP19A1 | |
| SCHEMBL10373999 | 0.71 | NR1D1 (0.38) | — | |
| SCHEMBL9804907 | 0.71 | CYP19A1 (0.43) | CYP19A1 | |
| SCHEMBL10372958 | 0.71 | TDP1 (0.43) | — |
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 |