Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.30 |
| ▸ | CLPP | Q16740 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410689 | 0.88 | EPHX2 (0.32) | — | |
| SCHEMBL16410663 | 0.84 | HTR1A (0.30) | — | |
| SCHEMBL16410538 | 0.81 | KMT2A (0.32) | — | |
| SCHEMBL16410633 | 0.81 | ACAT2 (0.37) | — | |
| SCHEMBL16410634 | 0.79 | CXCR4 (0.34) | CXCR4 | |
| SCHEMBL16410737 | 0.76 | ACAT2 (0.35) | CXCR4 | |
| SCHEMBL16410703 | 0.75 | AKT2 (0.33) | — | |
| SCHEMBL17757805 | 0.75 | ACAT2 (0.37) | — | |
| SCHEMBL16410601 | 0.73 | — | — | |
| SCHEMBL16410806 | 0.73 | PIK3CB (0.30) | — |
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 |