Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ACAT2 | Q9BWD1 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | VNN1 | O95497 | 2/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.33 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL17757726 | 0.90 | VNN1 (0.39) | HRH3KDM1AMAOAMAOBACAT2 | |
| SCHEMBL16410607 | 0.86 | ACAT2 (0.37) | ACAT2SLC6A2SLC6A4CHRM3SLC6A3 | |
| SCHEMBL17757855 | 0.82 | VNN1 (0.39) | HRH3KDM1AMAOAMAOBVNN1 | |
| SCHEMBL16410659 | 0.81 | ACAT2 (0.34) | ACAT2 | |
| SCHEMBL16410619 | 0.81 | LOXL2 (0.33) | KDM1AMAOAMAOBACAT2CYP2D6 | |
| SCHEMBL17758040 | 0.80 | PDE2A (0.39) | HRH3KDM1AMAOAMAOBVNN1 | |
| SCHEMBL17757084 | 0.80 | VNN1 (0.38) | HRH3KDM1AMAOAMAOBVNN1 | |
| SCHEMBL16410840 | 0.79 | ACAT2 (0.42) | ACAT2NOS1 | |
| SCHEMBL17757727 | 0.78 | USP2 (0.37) | KDM1AMAOAMAOBACAT2LRRK2 | |
| SCHEMBL16410605 | 0.78 | ACAT2 (0.32) | ACAT2 |
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 |