Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 16/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 14/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21770349 | 0.91 | SLC6A2 (0.50) | CACNA2D1SLC6A2SLC6A4 | |
| SCHEMBL21770957 | 0.86 | CACNA2D1 (0.50) | CACNA2D1SLC6A2SLC6A4 | |
| SCHEMBL21770821 | 0.82 | CACNA2D1 (0.51) | CACNA2D1SLC6A2 | |
| SCHEMBL21770251 | 0.78 | CACNA2D1 (0.43) | CACNA2D1SLC6A2 | |
| SCHEMBL20917101 | 0.77 | CACNA2D1 (0.51) | CACNA2D1SLC6A2SLC6A4 | |
| SCHEMBL21770649 | 0.77 | CACNA2D1 (0.44) | CACNA2D1SLC6A2 | |
| SCHEMBL21770523 | 0.77 | SLC6A2 (0.48) | CACNA2D1SLC6A2SLC6A4 | |
| SCHEMBL21770895 | 0.76 | ALDH1A1 (0.35) | CACNA2D1SLC6A2 | |
| SCHEMBL21770905 | 0.75 | CACNA2D1 (0.52) | CACNA2D1SLC6A2 | |
| SCHEMBL30438564 | 0.73 | CACNA2D1 (0.56) | CACNA2D1SLC6A2 |
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-3452475-B1 | TETRAHYDROPYRIMIDODIAZEPINE AND TETRAHYDROPYRIDODIAZEPINE COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS SA (ES) | 2020-02-26 | — | — | EP | disclosed |