Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 3/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TACR2 | P21452 | 3/20 | 0.35 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6599725 | 0.94 | TACR2 (0.39) | HRH1LMNATACR2SLC29A1ALDH1A1 | |
| SCHEMBL6598013 | 0.93 | HRH1 (0.38) | HRH1LMNATACR2SLC29A1ALDH1A1 | |
| SCHEMBL6598282 | 0.91 | TACR2 (0.37) | HRH1LMNATACR2SLC29A1ALDH1A1 | |
| SCHEMBL6596875 | 0.91 | MAPT (0.41) | HRH1LMNATACR2ALDH1A1MAPT | |
| SCHEMBL6596733 | 0.91 | TACR2 (0.39) | HRH1LMNATACR2SLC29A1ALDH1A1 | |
| SCHEMBL6600099 | 0.91 | TACR2 (0.42) | TACR2 | |
| SCHEMBL6599528 | 0.91 | TACR2 (0.40) | TACR2SLC29A1 | |
| SCHEMBL6596477 | 0.91 | HRH1 (0.39) | HRH1TACR2CYP2D6KCNH2 | |
| SCHEMBL6596076 | 0.91 | TACR2 (0.40) | HRH1TACR2SLC29A1MAPTCYP2D6 | |
| SCHEMBL8446106 | 0.90 | HRH1 (0.41) | HRH1GFERCYP1A2CYP2C19LMNA |
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 |