Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6593625 | 0.93 | CHRM1 (0.39) | — | |
| SCHEMBL6596639 | 0.92 | TACR2 (0.43) | — | |
| SCHEMBL6596980 | 0.92 | TACR2 (0.33) | DRD2DRD4DRD3 | |
| SCHEMBL6597750 | 0.92 | MEN1 (0.35) | DRD2DRD4DRD3 | |
| SCHEMBL6596349 | 0.91 | TACR2 (0.33) | DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL6598850 | 0.91 | TACR2 (0.33) | DRD2DRD4DRD3 | |
| SCHEMBL6596344 | 0.91 | TACR2 (0.33) | DRD2DRD4DRD3ALDH1A1 | |
| SCHEMBL6596824 | 0.90 | CHRM1 (0.35) | DRD2DRD4DRD3 | |
| SCHEMBL6596243 | 0.90 | MAPT (0.34) | DRD2DRD4DRD3ALDH1A1TSHR | |
| SCHEMBL8447404 | 0.89 | TACR2 (0.33) | DRD2DRD4DRD3 |
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 |