Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 3/20 | 0.32 |
| ▸ | NOS1 | P29475 | 3/20 | 0.32 |
| ▸ | NOS2 | P35228 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL17757902 | 0.90 | MAOB (0.35) | ACAT2CYP3A4CYP2C9CYP2C19NOS3 | |
| SCHEMBL16410559 | 0.89 | NOS3 (0.34) | ACAT2CYP3A4CYP2C9CYP2C19NOS3 | |
| SCHEMBL16410606 | 0.87 | ACAT2 (0.40) | ACAT2CYP3A4CYP2C9CYP2C19NOS3 | |
| SCHEMBL16410798 | 0.85 | MAOA (0.35) | ACAT2CYP3A4CYP2C9CYP2C19NOS3 | |
| SCHEMBL16410612 | 0.83 | ACAT2 (0.33) | ACAT2CYP3A4CYP2C9CYP2C19NOS3 | |
| SCHEMBL17757831 | 0.82 | ACAT2 (0.37) | ACAT2MAPTMAOBKMT2AHTR6 | |
| SCHEMBL16410563 | 0.81 | TP53 (0.38) | CYP3A4CYP2C9CYP2C19ROCK2 | |
| SCHEMBL16410840 | 0.81 | ACAT2 (0.42) | ACAT2NOS3NOS1NOS2MAPT | |
| SCHEMBL17757956 | 0.81 | ACAT2 (0.45) | ACAT2MAOBKMT2AHTR6 | |
| SCHEMBL16410872 | 0.81 | PDE7A (0.35) | CYP3A4CYP2C9CYP2C19NOS3NOS1 |
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 |