Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 4/20 | 0.34 |
| ▸ | NOS1 | P29475 | 4/20 | 0.34 |
| ▸ | NOS2 | P35228 | 4/20 | 0.34 |
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL17757613 | 0.90 | GRM4 (0.36) | NOS3NOS1NOS2ACAT2SLC6A4 | |
| SCHEMBL16410782 | 0.89 | ACAT2 (0.34) | NOS3NOS1NOS2ACAT2SLC6A4 | |
| SCHEMBL16410606 | 0.88 | ACAT2 (0.40) | NOS3NOS1NOS2ACAT2CYP3A4 | |
| SCHEMBL17757602 | 0.83 | MAOB (0.35) | NOS3NOS1NOS2ACAT2SLC6A4 | |
| SCHEMBL16410798 | 0.83 | MAOA (0.35) | NOS3NOS1NOS2ACAT2CYP3A4 | |
| SCHEMBL16410840 | 0.82 | ACAT2 (0.42) | NOS3NOS1NOS2ACAT2MAPT | |
| SCHEMBL17757625 | 0.81 | GRM4 (0.38) | NOS3NOS1NOS2ACAT2CYP3A4 | |
| SCHEMBL17757416 | 0.81 | ACAT2 (0.36) | NOS3NOS1NOS2ACAT2SLC6A4 | |
| SCHEMBL17757307 | 0.81 | ACAT2 (0.44) | ACAT2SLC6A4HTR2AHTR2CHTR2B | |
| SCHEMBL16410612 | 0.81 | ACAT2 (0.33) | NOS3NOS1NOS2ACAT2CYP3A4 |
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 |