Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 20/20 | 0.58 |
| ▸ | CXCR1 | P25024 | 18/20 | 0.58 |
| ▸ | CCR7 | P32248 | 4/20 | 0.53 |
| ▸ | CCR6 | P51684 | 2/20 | 0.51 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL12576083 | 0.88 | CXCR2 (0.72) | CXCR2CXCR1CCR7CCR6 | |
| SCHEMBL12576141 | 0.87 | CXCR2 (0.72) | CXCR2CXCR1CCR7CCR6 | |
| SCHEMBL12262963 | 0.79 | CXCR2 (0.71) | CXCR2CXCR1CCR7CCR6 | |
| SCHEMBL12263667 | 0.77 | CXCR2 (0.73) | CXCR2CXCR1CCR7CCR6 | |
| SCHEMBL12263796 | 0.77 | CXCR2 (0.73) | CXCR2CXCR1CCR7CCR6 | |
| SCHEMBL12310955 | 0.76 | CXCR2 (0.62) | CXCR2CXCR1CCR7CCR6 | |
| SCHEMBL12262900 | 0.76 | CXCR2 (0.70) | CXCR2CXCR1CCR7CCR6 | |
| SCHEMBL12575552 | 0.75 | CXCR2 (0.43) | CXCR2CXCR1CCR6 | |
| SCHEMBL12087257 | 0.75 | CXCR2 (0.73) | CXCR2CXCR1CCR7CCR6 | |
| SCHEMBL12262903 | 0.74 | CXCR2 (0.71) | CXCR2CXCR1CCR7CCR6CXCR3 |
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 |