Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 5/20 | 0.45 |
| ▸ | HRH1 | P35367 | 12/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6595957 | 0.95 | TACR2 (0.46) | TACR2 | |
| SCHEMBL6598925 | 0.93 | TACR2 (0.48) | TACR2 | |
| SCHEMBL6597483 | 0.93 | TACR2 (0.47) | TACR2 | |
| SCHEMBL6596189 | 0.93 | TACR2 (0.43) | TACR2 | |
| SCHEMBL6596531 | 0.92 | TACR2 (0.51) | TACR2HRH1CYP2D6KCNH2CHRM1 | |
| SCHEMBL6606329 | 0.92 | MAPT (0.44) | TACR2HRH1CYP2D6KCNH2CHRM1 | |
| SCHEMBL6598098 | 0.91 | TACR2 (0.48) | TACR2 | |
| SCHEMBL6596283 | 0.91 | HRH1 (0.50) | TACR2HRH1CYP2D6KCNH2CHRM1 | |
| SCHEMBL6596477 | 0.91 | HRH1 (0.39) | TACR2HRH1CYP2D6KCNH2CHRM1 | |
| SCHEMBL6595836 | 0.90 | TACR2 (0.59) | TACR2 |
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 |