Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL19553377 | 0.92 | CACNA2D1 (0.57) | CACNA2D1SLC6A2 | |
| SCHEMBL21747639 | 0.84 | CACNA2D1 (0.62) | CACNA2D1SLC6A2 | |
| SCHEMBL19553071 | 0.82 | CACNA2D1 (0.56) | CACNA2D1SLC6A2 | |
| SCHEMBL19553244 | 0.81 | CACNA2D1 (0.57) | CACNA2D1SLC6A2 | |
| SCHEMBL19564672 | 0.81 | CACNA2D1 (0.64) | CACNA2D1SLC6A2 | |
| SCHEMBL19553209 | 0.80 | CACNA2D1 (0.55) | CACNA2D1SLC6A2 | |
| SCHEMBL19552940 | 0.80 | CACNA2D1 (0.76) | CACNA2D1SLC6A2 | |
| SCHEMBL21747602 | 0.80 | CACNA2D1 (0.57) | CACNA2D1SLC6A2 | |
| SCHEMBL19553187 | 0.79 | CACNA2D1 (0.54) | CACNA2D1SLC6A2 | |
| SCHEMBL19553213 | 0.77 | CACNA2D1 (0.55) | 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 |
|---|---|---|---|---|---|---|---|
| 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 |