Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 5/20 | 0.35 |
| ▸ | NOS1 | P29475 | 5/20 | 0.35 |
| ▸ | NOS2 | P35228 | 4/20 | 0.35 |
| ▸ | ICMT | O60725 | 1/20 | 0.33 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.33 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.32 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.32 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.32 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.31 |
| ▸ | HTR3B | O95264 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.31 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL17757036 | 0.90 | ACAT2 (0.37) | ACAT2NOS3NOS1NOS2ICMT | |
| SCHEMBL17757020 | 0.86 | ACAT2 (0.39) | ACAT2NOS3NOS1NOS2ICMT | |
| SCHEMBL16410791 | 0.84 | ACAT2 (0.33) | ACAT2TAAR1SMN1; SMN2 | |
| SCHEMBL16410722 | 0.83 | OGA (0.32) | CYP2D6MEN1ALDH1A1LMNAKMT2A | |
| SCHEMBL16410637 | 0.82 | DRD2 (0.39) | ICMTTAAR1CYP2D6MEN1ALDH1A1 | |
| SCHEMBL17757334 | 0.82 | PIK3CA (0.40) | ACAT2ICMTC3AR1OPRM1CYP2D6 | |
| SCHEMBL16410629 | 0.81 | PIK3CA (0.36) | ACAT2NOS3NOS1NOS2ICMT | |
| SCHEMBL16410840 | 0.81 | ACAT2 (0.42) | ACAT2NOS3NOS1NOS2C3AR1 | |
| SCHEMBL17757601 | 0.81 | ACAT2 (0.39) | ACAT2NOS3NOS1NOS2C3AR1 | |
| SCHEMBL16410745 | 0.80 | TAAR1 (0.35) | ACAT2TAAR1MEN1KMT2A |
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 |