Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 15/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TACR2 | P21452 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6599183 | 0.94 | HRH1 (0.35) | HRH1CYP2D6CHRM1KCNH2TP53 | |
| SCHEMBL6596468 | 0.93 | TACR2 (0.34) | HRH1CYP2D6CHRM1KCNH2TP53 | |
| SCHEMBL6599290 | 0.92 | MAPT (0.34) | HRH1CYP2D6CHRM1KCNH2TACR2 | |
| SCHEMBL6593690 | 0.92 | DRD2 (0.36) | TACR2 | |
| SCHEMBL6598208 | 0.92 | CHRM1 (0.37) | HRH1CHRM1KCNH2TACR2 | |
| SCHEMBL6597082 | 0.92 | MEN1 (0.34) | HRH1CYP2D6CHRM1HTR3ATACR2 | |
| SCHEMBL6598374 | 0.92 | TACR2 (0.34) | HRH1CYP2D6CHRM1KCNH2TP53 | |
| SCHEMBL6598377 | 0.92 | TACR2 (0.34) | HRH1CYP2D6CHRM1KCNH2TP53 | |
| SCHEMBL6598788 | 0.91 | TACR2 (0.34) | TACR2 | |
| SCHEMBL6597713 | 0.90 | CHRM1 (0.33) | HRH1CHRM1KCNH2TACR2 |
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 3 patents. 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 |
| EP-0888338-A1 | 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 | HOECHST MARION ROUSSEL, INC. (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997030991-A1 | 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 | HOECHST MARION ROUSSEL, INC. (US) | 1997-08-28 | — | — | WO | disclosed |