Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C3AR1 | Q16581 | 1/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.34 |
| ▸ | HTR3B | O95264 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.34 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.34 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.33 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.33 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.33 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
| ▸ | GABRP | O00591 | 2/20 | 0.31 |
| ▸ | GABRD | O14764 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410686 | 0.82 | ACAT2 (0.38) | C3AR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL16410588 | 0.80 | HSD11B1 (0.34) | — | |
| SCHEMBL16410750 | 0.75 | ACAT2 (0.39) | C3AR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL16410789 | 0.73 | ACAT2 (0.38) | C3AR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL16410766 | 0.73 | ACAT2 (0.47) | C3AR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL16410816 | 0.70 | ACAT2 (0.45) | C3AR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL16410830 | 0.69 | ACAT2 (0.57) | C3AR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL16410694 | 0.69 | ACAT2 (0.47) | C3AR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL16410767 | 0.69 | ACAT2 (0.43) | C3AR1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL16410762 | 0.68 | ACAT2 (0.43) | C3AR1DRD2ACAT2 |
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 |