Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 5/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | HRH1 | P35367 | 4/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6596824 | 0.93 | CHRM1 (0.35) | HRH1DRD2DRD4DRD3CHRM1 | |
| SCHEMBL6598850 | 0.93 | TACR2 (0.33) | TACR2CYP2D6HRH1DRD2DRD4 | |
| SCHEMBL6597255 | 0.93 | TACR2 (0.42) | TACR2 | |
| SCHEMBL6593625 | 0.92 | CHRM1 (0.39) | HRH1CHRM1KCNH2 | |
| SCHEMBL6594882 | 0.92 | SMN1; SMN2 (0.37) | DRD2DRD4DRD3 | |
| SCHEMBL6597750 | 0.92 | MEN1 (0.35) | TACR2CYP2D6HRH1DRD2DRD4 | |
| SCHEMBL6596344 | 0.91 | TACR2 (0.33) | TACR2CYP2D6HRH1DRD2DRD4 | |
| SCHEMBL6596349 | 0.91 | TACR2 (0.33) | TACR2CYP2D6HRH1DRD2DRD4 | |
| SCHEMBL6596243 | 0.90 | MAPT (0.34) | TACR2CYP2D6HRH1DRD2DRD4 | |
| SCHEMBL8447404 | 0.89 | TACR2 (0.33) | TACR2DRD2DRD4DRD3 |
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 1 patent. 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 |