Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 3/20 | 0.31 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | AKT1 | P31749 | 1/20 | 0.31 |
| ▸ | AKT2 | P31751 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21770523 | 0.73 | SLC6A2 (0.48) | SLC6A2CACNA2D1SMN1; SMN2TP53MEN1 | |
| SCHEMBL21770707 | 0.73 | CACNA2D1 (0.52) | SLC6A2CACNA2D1 | |
| SCHEMBL21770494 | 0.72 | GBA1 (0.34) | SLC6A2CACNA2D1GBA1 | |
| SCHEMBL21770578 | 0.72 | CACNA2D1 (0.41) | SLC6A2CACNA2D1AKT1AKT2 | |
| SCHEMBL21770571 | 0.71 | MTNR1A (0.41) | GBA1 | |
| SCHEMBL19553373 | 0.70 | CACNA2D1 (0.68) | SLC6A2CACNA2D1 | |
| SCHEMBL21770422 | 0.70 | GBA1 (0.35) | GBA1SMN1; SMN2 | |
| SCHEMBL21770957 | 0.70 | CACNA2D1 (0.50) | SLC6A2CACNA2D1 | |
| SCHEMBL3718556 | 0.69 | ALDH1A1 (0.48) | SMN1; SMN2MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL21770894 | 0.69 | TP53 (0.35) | SLC6A2CACNA2D1SLC6A9SMN1; SMN2TP53 |
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 |