Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 3/20 | 0.43 |
| ▸ | TACR1 | P25103 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410847 | 0.90 | ACAT2 (0.37) | ACAT2KMT2A | |
| SCHEMBL16410738 | 0.88 | ACAT2 (0.36) | ACAT2 | |
| SCHEMBL16410532 | 0.83 | ACAT2 (0.44) | ACAT2TACR1MEN1ALDH1A1KMT2A | |
| SCHEMBL16410830 | 0.83 | ACAT2 (0.57) | ACAT2TACR1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16410667 | 0.77 | ACAT2 (0.38) | ACAT2MEN1ALDH1A1CYP2C9TSHR | |
| SCHEMBL16410759 | 0.76 | ACAT2 (0.57) | ACAT2SLC6A4 | |
| SCHEMBL17757207 | 0.76 | ACAT2 (0.39) | ACAT2TACR1CYP2D6MEN1ALDH1A1 | |
| SCHEMBL16410755 | 0.75 | ACAT2 (0.43) | ACAT2MEN1ALDH1A1TSHRKMT2A | |
| SCHEMBL16410766 | 0.75 | ACAT2 (0.47) | ACAT2CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL16410700 | 0.75 | ACAT2 (0.38) | ACAT2TACR1CYP2D6MEN1ALDH1A1 |
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 |