Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 9/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ABCC1 | P33527 | 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 | |
|---|---|---|---|---|
| SCHEMBL6596733 | 0.94 | TACR2 (0.39) | TACR2TACR1TACR3SLC29A1ALDH1A1 | |
| SCHEMBL6599725 | 0.93 | TACR2 (0.39) | TACR2TACR1SLC29A1ALDH1A1LMNA | |
| SCHEMBL6596875 | 0.93 | MAPT (0.41) | TACR2TACR1TACR3ALDH1A1LMNA | |
| SCHEMBL6598410 | 0.92 | TACR2 (0.38) | TACR2TACR1TACR3SLC29A1CYP2D6 | |
| SCHEMBL6599936 | 0.92 | TACR2 (0.49) | TACR2TACR1TACR3 | |
| SCHEMBL6596477 | 0.92 | HRH1 (0.39) | TACR2TACR1CYP2D6HRH1KCNH2 | |
| SCHEMBL6596076 | 0.92 | TACR2 (0.40) | TACR2TACR1TACR3MAPK1SLC29A1 | |
| SCHEMBL6598282 | 0.92 | TACR2 (0.37) | TACR2TACR1TACR3SLC29A1ALDH1A1 | |
| SCHEMBL6598013 | 0.92 | HRH1 (0.38) | TACR2TACR1TACR3SLC29A1ALDH1A1 | |
| SCHEMBL6599095 | 0.91 | HRH1 (0.39) | TACR2TACR1MAPK1ALDH1A1MAPT |
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 |