Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 11/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19564861 | 0.81 | CACNA2D1 (0.57) | CACNA2D1SLC6A2HTTTP53LMNA | |
| SCHEMBL21770358 | 0.78 | CACNA2D1 (0.58) | CACNA2D1SLC6A2HTT | |
| SCHEMBL21770344 | 0.75 | SLC6A2 (0.84) | CACNA2D1SLC6A2 | |
| SCHEMBL19564688 | 0.75 | SLC6A2 (0.84) | CACNA2D1SLC6A2 | |
| SCHEMBL21770544 | 0.75 | CACNA2D1 (0.60) | CACNA2D1SLC6A2HTT | |
| SCHEMBL21770687 | 0.74 | CACNA2D1 (0.61) | CACNA2D1SLC6A2 | |
| SCHEMBL19553469 | 0.74 | SLC6A2 (1.00) | CACNA2D1SLC6A2 | |
| SCHEMBL19553468 | 0.74 | SLC6A2 (1.00) | CACNA2D1SLC6A2 | |
| SCHEMBL21000214 | 0.72 | CACNA2D1 (0.66) | CACNA2D1SLC6A2 | |
| SCHEMBL21770859 | 0.72 | CACNA2D1 (0.54) | CACNA2D1SLC6A2HTTTP53LMNA |
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 |