Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410830 | 0.80 | ACAT2 (0.57) | ACAT2CYP1A2CHRM2CHRM4CYP3A4 | |
| SCHEMBL17757761 | 0.74 | ACAT2 (0.43) | ACAT2CYP1A2CHRM2CHRM4CYP3A4 | |
| SCHEMBL16410766 | 0.73 | ACAT2 (0.47) | ACAT2CYP1A2CYP3A4CYP2D6CHRM1 | |
| SCHEMBL16410652 | 0.73 | PDE7A (0.38) | ACAT2KDM4EMAPT | |
| SCHEMBL16410816 | 0.72 | ACAT2 (0.45) | ACAT2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16410759 | 0.72 | ACAT2 (0.57) | ACAT2KDM4EMAPT | |
| SCHEMBL16410532 | 0.72 | ACAT2 (0.44) | ACAT2TACR1MAPT | |
| SCHEMBL16410750 | 0.71 | ACAT2 (0.39) | ACAT2CYP1A2CYP3A4CYP2D6CHRM1 | |
| SCHEMBL17757281 | 0.70 | ACAT2 (0.53) | ACAT2MAPT | |
| SCHEMBL29823199 | 0.70 | ACAT2 (0.53) | ACAT2MAPT |
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 |