Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 18/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
| ▸ | TACR2 | P21452 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6597568 | 0.98 | HRH1 (0.46) | HRH1CYP2D6CHRM1KCNH2TACR1 | |
| SCHEMBL6599264 | 0.96 | HRH1 (0.45) | HRH1CYP2D6CHRM1KCNH2TACR1 | |
| SCHEMBL6602898 | 0.94 | HRH1 (0.43) | HRH1CYP2D6CHRM1KCNH2TACR1 | |
| SCHEMBL6595840 | 0.93 | TACR2 (0.51) | HRH1TACR1TACR2 | |
| SCHEMBL6597371 | 0.91 | ALDH1A1 (0.45) | HRH1TACR1TACR2 | |
| SCHEMBL6596477 | 0.91 | HRH1 (0.39) | HRH1CYP2D6CHRM1KCNH2TACR1 | |
| SCHEMBL8448809 | 0.91 | TACR2 (0.40) | HRH1CYP2D6TACR1TACR2 | |
| SCHEMBL6596283 | 0.91 | HRH1 (0.50) | HRH1CYP2D6CHRM1KCNH2TACR2 | |
| SCHEMBL6599239 | 0.90 | HRH1 (0.46) | HRH1CYP2D6CHRM1TACR2 | |
| SCHEMBL6599725 | 0.90 | TACR2 (0.39) | HRH1CYP2D6KCNH2TACR1TACR2 |
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-0888338-B1 | NOVEL SUBSTITUTED N-METHYL-N-(4-(4-(1H-BENZIMIDAZOL-2-YL) 1,4]DIAZEPAN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | AVENTIS PHARMA INC (US) | 2004-11-17 | — | — | EP | disclosed |