Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 3/20 | 0.38 |
| ▸ | PDE7A | Q13946 | 3/20 | 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 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.30 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410828 | 0.89 | ACAT2 (0.36) | ACAT2HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL16410770 | 0.89 | ACAT2 (0.44) | ACAT2PDE7AMAPTKDM4EPDE7B | |
| SCHEMBL16410620 | 0.85 | ACAT2 (0.36) | ACAT2PDE7AMAPTKDM4E | |
| SCHEMBL16410750 | 0.84 | ACAT2 (0.39) | ACAT2PDE7AHTR3EHTR3BHTR3A | |
| SCHEMBL16410654 | 0.82 | TSHR (0.37) | ACAT2PDE7AMAPTPDE7B | |
| SCHEMBL16410755 | 0.80 | ACAT2 (0.43) | ACAT2PDE7AMAPTKDM4E | |
| SCHEMBL16410686 | 0.80 | ACAT2 (0.38) | ACAT2PDE7AHTR3EHTR3BHTR3A | |
| SCHEMBL16410741 | 0.79 | PDE7A (0.33) | ACAT2PDE7A | |
| SCHEMBL16410816 | 0.79 | ACAT2 (0.45) | ACAT2PDE7AHTR3EHTR3BHTR3A | |
| SCHEMBL16410759 | 0.79 | ACAT2 (0.57) | ACAT2MAPTKDM4E |
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 |