Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FABP3 | P05413 | 1/20 | 0.33 |
| ▸ | FABP4 | P15090 | 1/20 | 0.33 |
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410770 | 0.84 | ACAT2 (0.44) | ACAT2 | |
| SCHEMBL16410755 | 0.80 | ACAT2 (0.43) | ACAT2GAA | |
| SCHEMBL16410741 | 0.77 | PDE7A (0.33) | ACAT2 | |
| SCHEMBL17757112 | 0.77 | FABP3 (0.39) | FABP3FABP4CYP3A4CYP2C19ADRA1A | |
| SCHEMBL16410712 | 0.75 | ACAT2 (0.38) | ACAT2 | |
| SCHEMBL16410649 | 0.75 | ACAT2 (0.31) | ACAT2 | |
| SCHEMBL16410816 | 0.74 | ACAT2 (0.45) | ACAT2CYP3A4CYP2C19 | |
| SCHEMBL16410759 | 0.74 | ACAT2 (0.57) | ACAT2 | |
| SCHEMBL16410757 | 0.74 | — | — | |
| SCHEMBL16410617 | 0.74 | ACAT2 (0.35) | ACAT2 |
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 |