Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 17/20 | 0.40 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL2989339 | 0.88 | CXCR3 (0.35) | CCR5CXCR3 | |
| SCHEMBL2993037 | 0.85 | HTT (0.33) | CXCR3 | |
| SCHEMBL1800591 | 0.82 | CYP1A2 (0.47) | CCR5 | |
| SCHEMBL1803393 | 0.82 | CCR5 (0.49) | CCR5 | |
| SCHEMBL1799903 | 0.79 | CYP2D6 (0.47) | CCR5CXCR3 | |
| SCHEMBL1798573 | 0.78 | CCR5 (0.41) | CCR5CXCR3CXCR4 | |
| SCHEMBL1799723 | 0.77 | L3MBTL1 (0.42) | CCR5CXCR3CXCR4 | |
| SCHEMBL1801308 | 0.77 | CCR5 (0.49) | CCR5 | |
| SCHEMBL2989173 | 0.76 | CCR5 (0.35) | CCR5 | |
| SCHEMBL1800826 | 0.75 | CCR5 (0.39) | CCR5CXCR3CXCR4MMP1MMP3 |
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-1730147-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2010-02-03 | — | — | EP | claimed |