Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 3/20 | 0.57 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410766 | 0.93 | ACAT2 (0.47) | ACAT2HTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL16410816 | 0.90 | ACAT2 (0.45) | ACAT2CYP1A2CYP3A4CYP2D6SLC6A4 | |
| SCHEMBL16410694 | 0.89 | ACAT2 (0.47) | ACAT2CYP1A2CYP3A4CYP2D6C3AR1 | |
| SCHEMBL16410532 | 0.89 | ACAT2 (0.44) | ACAT2SLC6A2SLC6A4TACR1 | |
| SCHEMBL16410767 | 0.88 | ACAT2 (0.43) | ACAT2HTR2CHTR2BCYP1A2CYP3A4 | |
| SCHEMBL16410762 | 0.88 | ACAT2 (0.43) | ACAT2CYP1A2CYP3A4CYP2D6DRD2 | |
| SCHEMBL16410736 | 0.86 | ACAT2 (0.44) | ACAT2CYP1A2CYP3A4CYP2D6C3AR1 | |
| SCHEMBL16410728 | 0.85 | ACAT2 (0.42) | ACAT2CYP3A4CYP2D6KCNH2C3AR1 | |
| SCHEMBL16410771 | 0.84 | ACAT2 (0.40) | ACAT2GRIN2BHTR3EHTR3BHTR3A | |
| SCHEMBL16410759 | 0.84 | ACAT2 (0.57) | ACAT2HTR2CHTR2BSLC6A2SLC6A4 |
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 |