Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 7/20 | 0.54 |
| ▸ | HTR2A | P28223 | 7/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | CASR | P41180 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL258151 | 0.97 | HRH1 (0.56) | HRH1HTR2ATAAR1KCNH2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6351414 | 0.92 | HRH1 (0.52) | HRH1HTR2ATAAR1KCNH2CYP3A4 | |
| SCHEMBL7061319 | 0.84 | HRH1 (0.45) | HRH1HTR2ATAAR1KCNH2CYP3A4 | |
| SCHEMBL647982 | 0.82 | HRH1 (0.60) | HRH1HTR2ATAAR1KCNH2CYP3A4 | |
| SCHEMBL5070184 | 0.80 | HRH1 (0.58) | HRH1HTR2ATAAR1KCNH2SIGMAR1 | |
| SCHEMBL3290730 | 0.80 | HRH1 (0.68) | HRH1HTR2ATAAR1KCNH2CYP3A4 | |
| SCHEMBL23581510 | 0.78 | HRH1 (0.56) | HRH1HTR2ATAAR1SIGMAR1 | |
| SCHEMBL8860226 | 0.78 | HRH1 (0.56) | HRH1HTR2ATAAR1SIGMAR1 | |
| SCHEMBL647078 | 0.78 | HRH1 (0.56) | HRH1HTR2ATAAR1SIGMAR1 | |
| SCHEMBL1415756 | 0.78 | HRH1 (0.56) | HRH1HTR2ATAAR1SIGMAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0498722-B1 | Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them | ROUSSEL UCLAF (FR) | 1997-07-30 | — | — | EP | disclosed |
| EP-0498722-A1 | Bicyclic nitrogen compounds, their preparation, intermediates obtained, their use as pharmaceuticals and pharmaceutical compositions containing them | ROUSSEL UCLAF (FR) | 1992-08-12 | — | — | EP | disclosed |