Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16410858 | 0.80 | PIK3CA (0.35) | CYP3A4CYP2D6CYP2C19OPRM1KCNH2 | |
| SCHEMBL16410629 | 0.80 | PIK3CA (0.36) | CYP3A4CYP2D6CYP2C19OPRM1KCNH2 | |
| SCHEMBL16410670 | 0.74 | — | — | |
| SCHEMBL16410868 | 0.73 | MAPK1 (0.33) | — | |
| SCHEMBL17757821 | 0.73 | PIK3CA (0.37) | CYP3A4CYP2D6CYP2C19OPRM1KCNH2 | |
| SCHEMBL16410860 | 0.72 | PIK3CA (0.33) | CYP3A4CYP2D6CYP2C19OPRM1KCNH2 | |
| SCHEMBL16410785 | 0.72 | PIK3CB (0.31) | — | |
| SCHEMBL17757055 | 0.71 | PIK3CA (0.40) | CYP3A4CYP2D6CYP2C19OPRM1KCNH2 | |
| SCHEMBL16410798 | 0.71 | MAOA (0.35) | CYP3A4CYP2C19OPRM1 | |
| SCHEMBL17757330 | 0.71 | PIK3CA (0.41) | CYP3A4CYP2D6CYP2C19OPRM1KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015007730-A1 | SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2015-01-22 | — | — | WO | disclosed |