Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 12/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.47 |
| ▸ | TACR2 | P21452 | 3/20 | 0.47 |
| ▸ | TACR1 | P25103 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | EED | O75530 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6596531 | 0.95 | TACR2 (0.51) | HRH1CYP2D6KCNH2CHRM1TACR2 | |
| SCHEMBL6596283 | 0.94 | HRH1 (0.50) | HRH1CYP2D6KCNH2CHRM1TACR2 | |
| SCHEMBL6599264 | 0.92 | HRH1 (0.45) | HRH1CYP2D6KCNH2CHRM1TACR2 | |
| SCHEMBL6606329 | 0.89 | MAPT (0.44) | HRH1CYP2D6KCNH2CHRM1TACR2 | |
| SCHEMBL6597568 | 0.89 | HRH1 (0.46) | HRH1CYP2D6KCNH2CHRM1TACR2 | |
| SCHEMBL6596622 | 0.89 | TACR2 (0.62) | TACR2TACR1 | |
| SCHEMBL6596465 | 0.89 | HRH1 (0.45) | HRH1CYP2D6KCNH2CHRM1TACR2 | |
| SCHEMBL6595755 | 0.88 | MAPT (0.47) | HRH1CYP2D6KCNH2TACR2LMNA | |
| SCHEMBL6597309 | 0.88 | LMNA (0.45) | HRH1CYP2D6KCNH2CHRM1TACR2 | |
| SCHEMBL6599166 | 0.88 | TACR2 (0.45) | HRH1CYP2D6KCNH2CHRM1TACR2 |
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 |