Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.37 |
| ▸ | EBP | Q15125 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL10625675 | 0.84 | ATM (0.47) | ATMEBPSIGMAR1CYP1A2CYP3A4 | |
| SCHEMBL9804836 | 0.82 | EBP (0.41) | ATMCYP19A1EBPSIGMAR1CYP1A2 | |
| SCHEMBL9804729 | 0.81 | CYP19A1 (0.52) | ATMCYP19A1CYP3A4CCR1 | |
| SCHEMBL9804855 | 0.79 | EBP (0.41) | ATMCYP19A1EBPSIGMAR1CYP3A4 | |
| SCHEMBL9805022 | 0.78 | CYP19A1 (0.59) | ATMCYP19A1CYP3A4 | |
| SCHEMBL13271382 | 0.78 | CYP2D6 (0.44) | ATMEBPSIGMAR1CYP3A4CYP2C19 | |
| SCHEMBL9804889 | 0.78 | CYP1A2 (0.37) | ATMEBPSIGMAR1CYP1A2CYP3A4 | |
| SCHEMBL9804705 | 0.77 | CYP19A1 (0.39) | CYP19A1EBPSIGMAR1 | |
| SCHEMBL9804866 | 0.77 | CYP19A1 (0.45) | ATMCYP19A1EBPSIGMAR1CYP3A4 | |
| SCHEMBL9804741 | 0.77 | CYP19A1 (0.34) | ATMCYP19A1EBPSIGMAR1CYP1A2 |
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 |