Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | ICMT | O60725 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410629 | 0.92 | PIK3CA (0.36) | PIK3CAPIK3CBACAT2OPRM1CYP2D6 | |
| SCHEMBL16410785 | 0.91 | PIK3CB (0.31) | PIK3CB | |
| SCHEMBL17757055 | 0.90 | PIK3CA (0.40) | PIK3CAPIK3CBACAT2OPRM1CYP2D6 | |
| SCHEMBL16410798 | 0.82 | MAOA (0.35) | ACAT2OPRM1CYP3A4CYP2C19NOS3 | |
| SCHEMBL17757330 | 0.81 | PIK3CA (0.41) | PIK3CAPIK3CBACAT2OPRM1CYP2D6 | |
| SCHEMBL16410840 | 0.81 | ACAT2 (0.42) | ACAT2CHRM2NOS3NOS1NOS2 | |
| SCHEMBL16410860 | 0.81 | PIK3CA (0.33) | PIK3CAPIK3CBOPRM1CYP2D6CYP3A4 | |
| SCHEMBL16410868 | 0.81 | MAPK1 (0.33) | PIK3CAPIK3CB | |
| SCHEMBL17757076 | 0.81 | PIK3CA (0.40) | PIK3CAPIK3CBACAT2OPRM1CYP2D6 | |
| SCHEMBL17758076 | 0.80 | PIK3CB (0.36) | PIK3CAPIK3CBICMT |
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 |