Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 4/20 | 0.78 |
| ▸ | CXCR2 | P25025 | 7/20 | 0.68 |
| ▸ | TAS1R3 | Q7RTX0 | 7/20 | 0.53 |
| ▸ | TAS1R1 | Q7RTX1 | 7/20 | 0.53 |
| ▸ | TAS1R2 | Q8TE23 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12262467 | 0.87 | CCR6 (1.00) | CCR6CXCR2 | |
| SCHEMBL12087174 | 0.87 | CCR6 (1.00) | CCR6CXCR2 | |
| SCHEMBL20721281 | 0.87 | CCR6 (1.00) | CCR6CXCR2 | |
| SCHEMBL13479556 | 0.83 | CXCR2 (0.75) | CCR6CXCR2TAS1R3TAS1R1TAS1R2 | |
| SCHEMBL12262523 | 0.81 | CXCR2 (1.00) | CCR6CXCR2 | |
| SCHEMBL12087212 | 0.80 | CXCR2 (0.75) | CCR6CXCR2 | |
| SCHEMBL12086677 | 0.79 | CXCR2 (0.76) | CCR6CXCR2 | |
| SCHEMBL12086670 | 0.79 | CXCR2 (0.76) | CCR6CXCR2 | |
| SCHEMBL24755260 | 0.79 | CCR6 (0.73) | CCR6CXCR2 | |
| SCHEMBL14511216 | 0.76 | CXCR2 (0.60) | CCR6CXCR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1818325-B1 | 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands | SCHERING CORP (US) | 2010-02-24 | — | — | EP | disclosed |
| EP-1381590-B1 | 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS | SCHERING CORP (US) | 2007-06-20 | — | — | EP | disclosed |