Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 11/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3914971 | 0.87 | CCR5 (0.35) | CCR5HDAC8CXCR4 | |
| SCHEMBL4042277 | 0.87 | CCR5 (0.33) | CCR5 | |
| SCHEMBL4034635 | 0.85 | HDAC8 (0.35) | HDAC8 | |
| SCHEMBL4039483 | 0.84 | CCR5 (0.34) | CCR5HDAC8 | |
| SCHEMBL3926289 | 0.84 | CCR5 (0.33) | CCR5HDAC8CXCR4 | |
| SCHEMBL4037470 | 0.82 | GAA (0.44) | CCR5 | |
| SCHEMBL1801496 | 0.80 | CCR5 (0.38) | CCR5 | |
| SCHEMBL4035065 | 0.80 | CYP3A4 (0.38) | CCR5CXCR4 | |
| SCHEMBL4042121 | 0.79 | GAA (0.36) | CCR5 | |
| SCHEMBL4032617 | 0.79 | ALDH1A1 (0.41) | CCR5HDAC8 |
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-1730144-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO¬4.5 DECAN-2-ONE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-10 | — | — | EP | claimed |