Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 14/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL286106 | 0.87 | GABRA5 (0.46) | GABRA5ROCK2GAA | |
| SCHEMBL286105 | 0.87 | GABRA5 (0.46) | GABRA5ROCK2GAA | |
| SCHEMBL285779 | 0.84 | GABRA5 (0.46) | GABRA5 | |
| SCHEMBL285780 | 0.84 | GABRA5 (0.46) | GABRA5 | |
| SCHEMBL286104 | 0.83 | POLB (0.44) | ALDH1A1GAANPC1 | |
| SCHEMBL285964 | 0.83 | GABRA5 (0.44) | GABRA5 | |
| SCHEMBL285966 | 0.83 | GABRA5 (0.44) | GABRA5 | |
| SCHEMBL284089 | 0.81 | GABRA5 (0.41) | GABRA5ALDH1A1GAANPSR1NPC1 | |
| SCHEMBL284088 | 0.81 | GABRA5 (0.41) | GABRA5ALDH1A1GAANPSR1NPC1 | |
| SCHEMBL286050 | 0.81 | GABRA5 (0.51) | GABRA5NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2427459-A1 | ISOXAZOLE-THIAZOLE DERIVATIVES AS GABA A RECEPTOR INVERSE AGONISTS FOR USE IN THE TREATMENT OF COGNITIVE DISORDERS | F. Hoffmann-La Roche AG (CH) | 2012-03-14 | — | — | EP | disclosed |