Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 | P25021 | 13/20 | 0.63 |
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.63 |
| ▸ | HRH1 | P35367 | 6/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.53 |
| ▸ | DRD2 | P14416 | 2/20 | 0.53 |
| ▸ | DRD3 | P35462 | 2/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.53 |
| ▸ | DRD1 | P21728 | 1/20 | 0.53 |
| ▸ | DRD4 | P21917 | 1/20 | 0.53 |
| ▸ | DRD5 | P21918 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9729110 | 0.98 | HRH2 (0.61) | HRH2HRH4HRH1CYP1A2HRH3 | |
| SCHEMBL5911625 | 0.94 | HRH2 (0.66) | HRH2HRH4HRH1CYP1A2HRH3 | |
| SCHEMBL5911593 | 0.86 | HRH2 (0.70) | HRH2HRH4HRH1CYP1A2HRH3 | |
| SCHEMBL7443479 | 0.82 | HRH2 (0.78) | HRH2HRH4HRH1CYP1A2HRH3 | |
| Hydrochloric Acid SCHEMBL7443747 | 0.81 | HRH2 (0.75) | HRH2HRH4HRH1CYP1A2HRH3 | |
| SCHEMBL31612255 | 0.80 | HRH2 (0.58) | HRH2HRH4HRH1CYP1A2HRH3 | |
| SCHEMBL27610577 | 0.80 | ALDH1A1 (0.40) | HRH2HRH4HRH1CYP1A2HRH3 | |
| Hydrochloric Acid SCHEMBL7277835 | 0.79 | HRH2 (0.61) | HRH2HRH4HRH1CYP1A2HRH3 | |
| SCHEMBL31612249 | 0.79 | HRH2 (0.56) | HRH2HRH4HRH1CYP1A2HRH3 | |
| SCHEMBL13566386 | 0.78 | ALDH1A1 (0.39) | HRH2HRH4HRH1CYP1A2HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5162360-A | Treating hypercholesterolemia and atherosclerosis; ACAT acyl-coenzyme A:-cholesterol acyltransferase | WARNER-LAMBERT COMPANY (US) | 1992-11-10 | — | — | US | disclosed |