Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 15/20 | 0.49 |
| ▸ | HRH1 | P35367 | 6/20 | 0.48 |
| ▸ | HRH2 | P25021 | 4/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12050716 | 0.77 | HRH3 (0.82) | HRH3HRH1HRH2KCNH2LTA4H | |
| SCHEMBL4596832 | 0.77 | MAOB (0.63) | CYP3A4CYP2D6HRH3HRH1HRH2 | |
| SCHEMBL16854156 | 0.75 | HRH3 (0.39) | CYP3A4CYP2D6HRH3HRH1HRH2 | |
| SCHEMBL3272027 | 0.73 | SLC6A4 (0.46) | HRH3 | |
| Hydrochloric Acid SCHEMBL2288178 | 0.73 | HRH3 (0.50) | CYP3A4HRH3KCNH2 | |
| SCHEMBL4596999 | 0.72 | HRH3 (0.72) | HRH3HRH1HRH2KCNH2 | |
| SCHEMBL3273022 | 0.72 | HRH3 (0.44) | CYP3A4CYP2D6HRH3HRH1HRH2 | |
| SCHEMBL5187091 | 0.70 | HRH3 (0.74) | HRH3HRH1KCNH2 | |
| SCHEMBL14129958 | 0.70 | CYP2D6 (1.00) | CYP3A4CYP2D6 | |
| SCHEMBL12061358 | 0.69 | HRH3 (0.78) | HRH3HRH1HRH2 |
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-1874746-A2 | NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS | BIOPROJET (FR) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006117609-A2 | PHENOXYPROPYLPIPERIDINES AND -PYRROLIDINES AND THEIR USE AS HISTAMINE H3 -RECEPTOR LIGANDS | BIOPROJET (FR) | 2006-11-09 | — | — | WO | disclosed |