Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 2/20 | 0.38 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 3/20 | 0.33 |
| ▸ | NOS1 | P29475 | 3/20 | 0.33 |
| ▸ | NOS2 | P35228 | 3/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | GHSR | Q92847 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410750 | 0.94 | ACAT2 (0.39) | ACAT2C3AR1PDE7AHTR3EHTR3B | |
| SCHEMBL16410816 | 0.90 | ACAT2 (0.45) | ACAT2C3AR1PDE7AHTR3EHTR3B | |
| SCHEMBL16410766 | 0.84 | ACAT2 (0.47) | ACAT2C3AR1HTR3EHTR3BHTR3A | |
| SCHEMBL16410789 | 0.84 | ACAT2 (0.38) | ACAT2C3AR1HTR3EHTR3BHTR3A | |
| SCHEMBL16410620 | 0.83 | ACAT2 (0.36) | ACAT2PDE7AKMT2A | |
| SCHEMBL16410853 | 0.82 | C3AR1 (0.36) | ACAT2C3AR1HTR3EHTR3BHTR3A | |
| SCHEMBL16410736 | 0.81 | ACAT2 (0.44) | ACAT2C3AR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16410755 | 0.81 | ACAT2 (0.43) | ACAT2PDE7AKMT2A | |
| SCHEMBL16410694 | 0.81 | ACAT2 (0.47) | ACAT2C3AR1HTR3EHTR3BHTR3A | |
| SCHEMBL16410830 | 0.81 | ACAT2 (0.57) | ACAT2C3AR1HTR3EHTR3BHTR3A |
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 |