Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL16410838 | 0.77 | CYP3A4 (0.32) | NOS3NOS1NOS2 | |
| SCHEMBL16410642 | 0.74 | BACE1 (0.30) | — | |
| SCHEMBL16410835 | 0.71 | NOS1 (0.35) | NOS3NOS1NOS2 | |
| SCHEMBL16410683 | 0.70 | PIK3CA (0.32) | — | |
| SCHEMBL16410611 | 0.69 | — | — | |
| SCHEMBL16410729 | 0.68 | — | — | |
| SCHEMBL16410774 | 0.67 | MEN1 (0.36) | NOS3NOS1NOS2 | |
| SCHEMBL16410793 | 0.67 | CYP1A2 (0.34) | — | |
| SCHEMBL16410561 | 0.66 | TSHR (0.39) | — | |
| SCHEMBL16410678 | 0.66 | CNR1 (0.31) | — |
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 |