Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13202887 | 0.77 | HRH2 (0.63) | CYP1A2HRH2HRH1HRH4ALDH1A1 | |
| SCHEMBL31612254 | 0.67 | HRH2 (0.59) | CYP1A2HRH2HRH1HRH4 | |
| SCHEMBL8259817 | 0.67 | ALDH1A1 (0.41) | CYP1A2HRH2HRH1HRH4HTT | |
| SCHEMBL10986689 | 0.64 | ALDH1A1 (0.49) | CYP1A2HRH2HRH1HRH4HTT | |
| SCHEMBL13459260 | 0.63 | — | — | |
| SCHEMBL2175079 | 0.61 | ALDH1A1 (0.48) | CYP1A2HRH2HRH1HRH4HTT | |
| SCHEMBL24202463 | 0.61 | ALDH1A1 (0.50) | CYP1A2HRH2HRH1HRH4ALDH1A1 | |
| SCHEMBL31612250 | 0.60 | HRH2 (0.59) | CYP1A2HRH2HRH1HRH4HTT | |
| Hydrochloric Acid SCHEMBL10987975 | 0.59 | ALDH1A1 (0.47) | CYP1A2HRH2HRH1HRH4HTT | |
| SCHEMBL31612261 | 0.59 | HRH2 (0.58) | CYP1A2HRH2HRH1HRH4HTT |
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-1632483-B1 | HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | AVENTIS PHARMA INC (US) | 2008-10-29 | — | — | EP | disclosed |