Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ACAT2 | Q9BWD1 | 2/20 | 0.34 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410791 | 0.94 | ACAT2 (0.33) | TAAR1ACAT2CYP2A13 | |
| SCHEMBL17757034 | 0.89 | GPR84 (0.36) | TAAR1ACAT2CYP2A13KDM4EMAPT | |
| SCHEMBL16410765 | 0.88 | ACAT2 (0.47) | TAAR1ACAT2KDM4EMAPTGPR84 | |
| SCHEMBL16410834 | 0.87 | ACAT2 (0.36) | TAAR1ACAT2CYP2A13KDM4EMAPT | |
| SCHEMBL16410722 | 0.86 | OGA (0.32) | KDM4EMAPTMEN1NPC1RAB9A | |
| SCHEMBL17757035 | 0.85 | ACAT2 (0.34) | TAAR1ACAT2CYP2A13KDM4EMAPT | |
| SCHEMBL16410752 | 0.83 | PDE7A (0.35) | TAAR1ACAT2KDM4EMAPTKMT2A | |
| SCHEMBL17757325 | 0.82 | PIK3CA (0.39) | ACAT2CYP2A13MAPTMEN1NPC1 | |
| SCHEMBL16410809 | 0.81 | ACAT2 (0.35) | TAAR1ACAT2CYP2A13 | |
| SCHEMBL16410716 | 0.80 | ACAT2 (0.36) | TAAR1ACAT2MEN1KMT2A |
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 |