Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 7/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PDE1A | P54750 | 4/20 | 0.32 |
| ▸ | PDE1B | Q01064 | 4/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.32 |
| ▸ | PDE1C | Q14123 | 4/20 | 0.32 |
| ▸ | PDE7B | Q9NP56 | 3/20 | 0.32 |
| ▸ | PDE5A | O76074 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.31 |
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410712 | 0.82 | ACAT2 (0.38) | PDE7APDE7BMAPTACAT2 | |
| SCHEMBL16410770 | 0.79 | ACAT2 (0.44) | PDE7APDE7BMAPTACAT2 | |
| SCHEMBL16410620 | 0.78 | ACAT2 (0.36) | PDE7ANPC1RAB9AMAPTACAT2 | |
| SCHEMBL17757905 | 0.78 | MEN1 (0.42) | TSHRPDE7AL3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL16410755 | 0.78 | ACAT2 (0.43) | TSHRPDE7ANPC1RAB9AMAPT | |
| SCHEMBL16410750 | 0.77 | ACAT2 (0.39) | PDE7ACYP1A2CYP2D6CYP2C19ACAT2 | |
| SCHEMBL16410816 | 0.77 | ACAT2 (0.45) | PDE7AL3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16410686 | 0.76 | ACAT2 (0.38) | PDE7ACYP1A2CYP2D6CYP2C19ACAT2 | |
| SCHEMBL16410652 | 0.75 | PDE7A (0.38) | TSHRPDE7APDE1APDE1BPDE4D | |
| SCHEMBL16410741 | 0.73 | PDE7A (0.33) | PDE7AACAT2 |
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 |