Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EBP | Q15125 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 0.35 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.33 |
| ▸ | TEK | Q02763 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9804907 | 0.85 | CYP19A1 (0.43) | EBPSIGMAR1CYP19A1CYP3A4 | |
| SCHEMBL9804675 | 0.82 | CYP2C9 (0.39) | EBPSIGMAR1CYP19A1HDAC1CTSL | |
| SCHEMBL10371783 | 0.81 | CYP3A4 (0.44) | EBPSIGMAR1CYP19A1CTSLCTSS | |
| SCHEMBL9804896 | 0.79 | ATM (0.37) | EBPSIGMAR1CYP19A1ATMCTSL | |
| SCHEMBL9804705 | 0.77 | CYP19A1 (0.39) | EBPSIGMAR1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL9804836 | 0.77 | EBP (0.41) | EBPSIGMAR1CYP19A1ATMCTSL | |
| SCHEMBL9804684 | 0.76 | EBP (0.33) | EBPSIGMAR1CNR2CNR1 | |
| SCHEMBL10372958 | 0.75 | TDP1 (0.43) | EBPSIGMAR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL51900 | 0.73 | EBP (0.59) | EBPSIGMAR1ATMCYP3A4CYP2D6 | |
| SCHEMBL9805022 | 0.73 | CYP19A1 (0.59) | CYP19A1ATMCYP3A4 |
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 |