Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.43 |
| ▸ | ICMT | O60725 | 1/20 | 0.32 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.30 |
| ▸ | HTR3B | O95264 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410728 | 0.94 | ACAT2 (0.42) | ACAT2C3AR1CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL16410766 | 0.92 | ACAT2 (0.47) | ACAT2C3AR1CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL16410789 | 0.92 | ACAT2 (0.38) | ACAT2ICMTC3AR1CYP2D6CYP3A4 | |
| SCHEMBL16410787 | 0.91 | ACAT2 (0.33) | ACAT2MEN1ALDH1A1LMNAMAPT | |
| SCHEMBL16410816 | 0.89 | ACAT2 (0.45) | ACAT2C3AR1CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL16410726 | 0.89 | ALDH1A1 (0.32) | ACAT2ALDH1A1MAPTKMT2A | |
| SCHEMBL16410830 | 0.88 | ACAT2 (0.57) | ACAT2C3AR1CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL16410694 | 0.88 | ACAT2 (0.47) | ACAT2C3AR1CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL16410863 | 0.88 | ACAT2 (0.35) | ACAT2CYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16410803 | 0.87 | ACAT2 (0.37) | ACAT2ROCK2 |
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 |