Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 2/20 | 0.35 |
| ▸ | FABP3 | P05413 | 1/20 | 0.34 |
| ▸ | FABP4 | P15090 | 1/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17757735 | 0.90 | BRD9 (0.38) | ACAT2FABP3FABP4BRD9HTR1A | |
| SCHEMBL16410800 | 0.89 | BRD4 (0.35) | FABP3FABP4BRD9CYP3A4CYP2C19 | |
| SCHEMBL16410673 | 0.82 | ACAT2 (0.38) | ACAT2 | |
| SCHEMBL17757112 | 0.81 | FABP3 (0.39) | FABP3FABP4BRD9CYP3A4CYP2C19 | |
| SCHEMBL17757086 | 0.79 | FABP3 (0.35) | FABP3FABP4BRD9CYP3A4CYP2C19 | |
| SCHEMBL17758050 | 0.79 | BRD9 (0.39) | FABP3FABP4BRD9CYP3A4CYP2C19 | |
| SCHEMBL16410604 | 0.77 | ACAT2 (0.34) | ACAT2USP2CYP2D6 | |
| SCHEMBL16410867 | 0.76 | ALDH1A1 (0.34) | ACAT2KMT2AALDH1A1TSHRTRPV1 | |
| SCHEMBL17757736 | 0.76 | ALDH1A1 (0.39) | CYP3A4CYP2C19KMT2AUSP2ALDH1A1 | |
| SCHEMBL16410824 | 0.76 | PDE7A (0.38) | ACAT2CYP3A4CYP2C19KMT2AALDH1A1 |
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 |