Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 5/20 | 0.76 |
| ▸ | CXCR2 | P25025 | 15/20 | 0.72 |
| ▸ | CXCR1 | P25024 | 6/20 | 0.62 |
| ▸ | CCR7 | P32248 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL12087153 | 0.87 | CXCR2 (0.74) | CCR6CXCR2CXCR1 | |
| SCHEMBL20721209 | 0.86 | CCR6 (1.00) | CCR6CXCR2CXCR1CCR7 | |
| SCHEMBL12574672 | 0.86 | CCR6 (1.00) | CCR6CXCR2CXCR1CCR7 | |
| SCHEMBL12260545 | 0.86 | CCR6 (1.00) | CCR6CXCR2CXCR1CCR7 | |
| SCHEMBL20721163 | 0.85 | CCR6 (1.00) | CCR6CXCR2CXCR1CCR7 | |
| SCHEMBL12087175 | 0.85 | CCR6 (0.56) | CCR6CXCR2CXCR1CCR7 | |
| SCHEMBL12087240 | 0.83 | CXCR2 (1.00) | CXCR2CXCR1 | |
| SCHEMBL14511603 | 0.83 | CXCR2 (0.58) | CCR6CXCR2CXCR1CCR7 | |
| SCHEMBL14511438 | 0.83 | CXCR2 (0.58) | CCR6CXCR2CXCR1CCR7 | |
| SCHEMBL14511437 | 0.82 | CXCR2 (0.67) | CCR6CXCR2CXCR1CCR7 |
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-1539678-B1 | 3,4-DI-SUBSTITUTED CYCLOBUTENE-1, 2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS | MERCK SHARP & DOHME (US) | 2012-09-05 | — | — | EP | disclosed |