Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16410673 | 0.81 | ACAT2 (0.38) | ACAT2 | |
| SCHEMBL16410605 | 0.79 | ACAT2 (0.32) | ACAT2 | |
| SCHEMBL16410640 | 0.78 | MAOA (0.36) | — | |
| SCHEMBL16410661 | 0.77 | ACAT2 (0.35) | ACAT2CYP2D6USP2 | |
| SCHEMBL17757180 | 0.77 | MAOA (0.42) | ACAT2 | |
| SCHEMBL17757724 | 0.76 | CYP2D6 (0.44) | ACAT2CYP2D6USP2 | |
| SCHEMBL17757287 | 0.75 | HDAC3 (0.39) | ACAT2CYP2D6 | |
| SCHEMBL16410765 | 0.74 | ACAT2 (0.47) | ACAT2 | |
| SCHEMBL16410659 | 0.74 | ACAT2 (0.34) | ACAT2 | |
| SCHEMBL16410615 | 0.74 | KMT2A (0.36) | ACAT2CYP2D6 |
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 |