Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 14/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | LMNA | P02545 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.52 |
| ▸ | HTR2C | P28335 | 4/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.52 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.52 |
| ▸ | HTR2A | P28223 | 3/20 | 0.52 |
| ▸ | HRH1 | P35367 | 3/20 | 0.52 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.52 |
| ▸ | HTR2B | P41595 | 3/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL21770735 | 0.83 | CACNA2D1 (0.52) | SLC6A4KMT2ACYP2D6CYP3A4CYP1A2 | |
| SCHEMBL21770609 | 0.83 | SLC6A4 (0.68) | SLC6A4KMT2ACYP2D6CYP3A4MEN1 | |
| SCHEMBL21770845 | 0.79 | SLC6A4 (0.62) | SLC6A4KMT2ACYP2D6CYP3A4MEN1 | |
| SCHEMBL21770743 | 0.77 | SLC6A4 (0.57) | SLC6A4KMT2ACYP2D6CYP3A4MEN1 | |
| SCHEMBL21770600 | 0.76 | SLC6A4 (0.73) | SLC6A4KMT2ACYP2D6CYP3A4MEN1 | |
| SCHEMBL21770719 | 0.76 | SLC6A2 (0.44) | SLC6A4KMT2ACYP2D6CYP3A4MEN1 | |
| SCHEMBL10151711 | 0.75 | CARM1 (0.55) | SLC6A4CYP3A4LMNASLC6A2SLC6A3 | |
| SCHEMBL8197696 | 0.75 | SLC6A4 (1.00) | SLC6A4KMT2ACYP2D6CYP3A4MEN1 | |
| SCHEMBL5011928 | 0.75 | SLC6A4 (1.00) | SLC6A4KMT2ACYP2D6CYP3A4MEN1 | |
| SCHEMBL15809698 | 0.75 | SLC6A4 (0.75) | SLC6A4KMT2ACYP2D6CYP3A4MEN1 |
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 |