Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 2/20 | 0.42 |
| ▸ | NOS3 | P29474 | 5/20 | 0.33 |
| ▸ | NOS1 | P29475 | 5/20 | 0.33 |
| ▸ | NOS2 | P35228 | 5/20 | 0.33 |
| ▸ | HTR6 | P50406 | 4/20 | 0.32 |
| ▸ | MAOB | P27338 | 3/20 | 0.32 |
| ▸ | C3AR1 | Q16581 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.31 |
| ▸ | CDK9 | P50750 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410840 | 0.80 | ACAT2 (0.42) | ACAT2NOS3NOS1NOS2C3AR1 | |
| SCHEMBL17757776 | 0.79 | ACAT2 (0.48) | ACAT2HTR6MAOBCCNT1CDK9 | |
| SCHEMBL17757323 | 0.79 | TAAR1 (0.46) | ACAT2NOS3NOS1NOS2HTR6 | |
| SCHEMBL17757306 | 0.79 | ACAT2 (0.41) | ACAT2NOS3NOS1NOS2HTR6 | |
| SCHEMBL16410629 | 0.79 | PIK3CA (0.36) | ACAT2NOS3NOS1NOS2MAOB | |
| SCHEMBL17757317 | 0.78 | ACAT2 (0.45) | ACAT2HTR6MAOBCCNT1CDK9 | |
| SCHEMBL16410606 | 0.77 | ACAT2 (0.40) | ACAT2NOS3NOS1NOS2C3AR1 | |
| SCHEMBL17757281 | 0.76 | ACAT2 (0.53) | ACAT2HTR6MAOBC3AR1CCNT1 | |
| SCHEMBL16410679 | 0.76 | ACAT2 (0.40) | ACAT2NOS3NOS1NOS2HTR6 | |
| SCHEMBL29823199 | 0.76 | ACAT2 (0.53) | ACAT2HTR6MAOBC3AR1CCNT1 |
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 |