Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 16/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19564630 | 0.89 | GBA1 (0.40) | GBA1CACNA2D1SLC6A2 | |
| SCHEMBL22367298 | 0.84 | GBA1 (0.39) | GBA1CACNA2D1SLC6A2 | |
| SCHEMBL22367300 | 0.84 | GBA1 (0.39) | GBA1CACNA2D1SLC6A2 | |
| SCHEMBL29967255 | 0.84 | CACNA2D1 (0.38) | GBA1CACNA2D1SLC6A2 | |
| SCHEMBL19564569 | 0.83 | SLC6A9 (0.48) | — | |
| SCHEMBL20309012 | 0.80 | GBA1 (0.45) | GBA1TP53 | |
| SCHEMBL29457634 | 0.80 | GBA1 (0.45) | GBA1TP53 | |
| SCHEMBL29967173 | 0.80 | GBA1 (0.45) | GBA1TP53 | |
| SCHEMBL21102625 | 0.80 | CACNA2D1 (0.42) | GBA1CACNA2D1SLC6A2 | |
| SCHEMBL21102740 | 0.80 | CACNA2D1 (0.42) | GBA1CACNA2D1SLC6A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3452475-B1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS SA (ES) | 2020-02-26 | — | — | EP | disclosed |
| WO-2017191304-A1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-11-09 | — | — | WO | disclosed |