Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 2/20 | 0.33 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410745 | 0.94 | TAAR1 (0.35) | ACAT2CYP2A13TAAR1 | |
| SCHEMBL17757035 | 0.90 | ACAT2 (0.34) | ACAT2CYP2A13TAAR1SMN1; SMN2 | |
| SCHEMBL16410752 | 0.90 | PDE7A (0.35) | ACAT2TAAR1 | |
| SCHEMBL16410809 | 0.88 | ACAT2 (0.35) | ACAT2CYP2A13TAAR1 | |
| SCHEMBL17757034 | 0.85 | GPR84 (0.36) | ACAT2CYP2A13TAAR1 | |
| SCHEMBL16410716 | 0.84 | ACAT2 (0.36) | ACAT2TAAR1SMN1; SMN2 | |
| SCHEMBL16410765 | 0.82 | ACAT2 (0.47) | ACAT2TAAR1 | |
| SCHEMBL16410722 | 0.82 | OGA (0.32) | SMN1; SMN2 | |
| SCHEMBL16410834 | 0.81 | ACAT2 (0.36) | ACAT2CYP2A13TAAR1 | |
| SCHEMBL17757325 | 0.81 | PIK3CA (0.39) | ACAT2CYP2A13SMN1; SMN2 |
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 |