Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACAT2 | Q9BWD1 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.34 |
| ▸ | HTR6 | P50406 | 5/20 | 0.34 |
| ▸ | HTR2C | P28335 | 5/20 | 0.32 |
| ▸ | HTR2B | P41595 | 3/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410566 | 0.83 | SLC6A4 (0.33) | SLC6A4HTR6 | |
| SCHEMBL16410823 | 0.79 | AMPD2 (0.34) | ACAT2HTR6 | |
| SCHEMBL16410869 | 0.79 | GAA (0.33) | HTR6 | |
| SCHEMBL16410625 | 0.78 | GRIN2B (0.34) | — | |
| SCHEMBL16410813 | 0.77 | AMPD2 (0.33) | ACAT2HTR6 | |
| SCHEMBL16410685 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL16410844 | 0.70 | — | — | |
| SCHEMBL16410660 | 0.70 | TAAR1 (0.32) | — | |
| SCHEMBL16410830 | 0.69 | ACAT2 (0.57) | ACAT2SLC6A4HTR6HTR2CHTR2B | |
| SCHEMBL16410760 | 0.66 | — | — |
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 |