Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 12/20 | 0.49 |
| ▸ | CCR5 | P51681 | 6/20 | 0.49 |
| ▸ | TACR1 | P25103 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6599128 | 0.93 | TACR2 (0.51) | TACR2CCR5TACR1 | |
| SCHEMBL6595386 | 0.93 | TACR2 (0.47) | TACR2CCR5TACR1 | |
| SCHEMBL6599314 | 0.92 | TACR2 (0.61) | TACR2TACR1 | |
| SCHEMBL6594314 | 0.92 | CCR5 (0.45) | TACR2CCR5TACR1 | |
| SCHEMBL6599100 | 0.89 | TACR2 (0.46) | TACR2CCR5TACR1 | |
| SCHEMBL6596822 | 0.89 | TACR2 (0.51) | TACR2 | |
| SCHEMBL6595983 | 0.88 | TACR2 (0.57) | TACR2CCR5TACR1 | |
| SCHEMBL6595715 | 0.88 | TACR2 (0.51) | TACR2CCR5TACR1 | |
| SCHEMBL6596220 | 0.88 | TACR2 (0.51) | TACR2 | |
| SCHEMBL6595763 | 0.87 | LMNA (0.45) | TACR2 |
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 |