Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 19/20 | 0.60 |
| ▸ | SLC6A2 | P23975 | 15/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21770358 | 0.87 | CACNA2D1 (0.58) | CACNA2D1SLC6A2HTT | |
| SCHEMBL21770687 | 0.83 | CACNA2D1 (0.61) | CACNA2D1SLC6A2 | |
| SCHEMBL21770807 | 0.76 | CACNA2D1 (0.59) | CACNA2D1SLC6A2 | |
| SCHEMBL19552902 | 0.76 | CACNA2D1 (1.00) | CACNA2D1SLC6A2 | |
| SCHEMBL21770951 | 0.75 | CACNA2D1 (0.56) | CACNA2D1SLC6A2HTT | |
| SCHEMBL20970826 | 0.74 | CACNA2D1 (0.80) | CACNA2D1SLC6A2 | |
| SCHEMBL21770778 | 0.73 | CACNA2D1 (0.53) | CACNA2D1SLC6A2 | |
| SCHEMBL19553371 | 0.73 | CACNA2D1 (1.00) | CACNA2D1SLC6A2 | |
| SCHEMBL21770954 | 0.72 | CACNA2D1 (0.65) | CACNA2D1SLC6A2 | |
| SCHEMBL19564861 | 0.71 | CACNA2D1 (0.57) | CACNA2D1SLC6A2HTT |
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 |