Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 3/20 | 0.32 |
| ▸ | NOS1 | P29475 | 3/20 | 0.32 |
| ▸ | NOS2 | P35228 | 3/20 | 0.32 |
| ▸ | STAT6 | P42226 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.30 |
| ▸ | ICMT | O60725 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410780 | 0.90 | MEN1 (0.35) | P2RX7NOS3NOS1NOS2CYP3A4 | |
| SCHEMBL16410701 | 0.89 | PIK3CA (0.33) | PIK3CAPIK3CBP2RX7OPRM1CYP2D6 | |
| SCHEMBL16410626 | 0.86 | NOS3 (0.34) | PIK3CAPIK3CBNOS3NOS1NOS2 | |
| SCHEMBL16410822 | 0.84 | HTT (0.34) | PIK3CBICMT | |
| SCHEMBL16410774 | 0.82 | MEN1 (0.36) | P2RX7NOS3NOS1NOS2CYP3A4 | |
| SCHEMBL16410683 | 0.81 | PIK3CA (0.32) | PIK3CAPIK3CBP2RX7STAT6KCNN3 | |
| SCHEMBL16410812 | 0.80 | PIK3CA (0.33) | PIK3CAPIK3CBOPRM1CYP2D6NOS3 | |
| SCHEMBL16410776 | 0.79 | NOS3 (0.35) | P2RX7NOS3NOS1NOS2CYP3A4 | |
| SCHEMBL16410650 | 0.78 | CYP1A2 (0.34) | PIK3CASTAT6CYP3A4 | |
| SCHEMBL16410858 | 0.77 | PIK3CA (0.35) | PIK3CAPIK3CBOPRM1CYP2D6NOS3 |
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 |