Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 9/20 | 0.50 |
| ▸ | CACNA2D1 | P54289 | 10/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MTOR | P42345 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21770556 | 0.91 | CACNA2D1 (0.51) | SLC6A2CACNA2D1SLC6A4 | |
| SCHEMBL21770523 | 0.86 | SLC6A2 (0.48) | SLC6A2CACNA2D1SLC6A4NPC1CYP2D6 | |
| SCHEMBL21770865 | 0.79 | ALDH1A1 (0.41) | CYP2D6CYP2C19MEN1KMT2ALMNA | |
| SCHEMBL21770821 | 0.78 | CACNA2D1 (0.51) | SLC6A2CACNA2D1 | |
| SCHEMBL21770957 | 0.77 | CACNA2D1 (0.50) | SLC6A2CACNA2D1SLC6A4 | |
| SCHEMBL21770649 | 0.72 | CACNA2D1 (0.44) | SLC6A2CACNA2D1CYP2D6CYP2C19TP53 | |
| SCHEMBL21770905 | 0.70 | CACNA2D1 (0.52) | SLC6A2CACNA2D1 | |
| SCHEMBL21770895 | 0.70 | ALDH1A1 (0.35) | SLC6A2CACNA2D1KDM4EADRA2AADRA1A | |
| SCHEMBL20917101 | 0.69 | CACNA2D1 (0.51) | SLC6A2CACNA2D1SLC6A4 | |
| SCHEMBL21770611 | 0.68 | BCHE (0.40) | SLC6A2CACNA2D1CYP2D6CYP2C19MEN1 |
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 |