Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 11/20 | 0.72 |
| ▸ | CXCR2 | P25025 | 9/20 | 0.51 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20760289 | 0.92 | CCR6 (0.61) | CCR6CXCR2 | |
| SCHEMBL12260594 | 0.85 | CCR6 (1.00) | CCR6CXCR2CXCR1 | |
| SCHEMBL20760852 | 0.84 | CCR6 (0.73) | CCR6 | |
| SCHEMBL12260593 | 0.84 | CCR6 (0.98) | CCR6CXCR2CXCR1 | |
| SCHEMBL246834 | 0.81 | CCR6 (0.92) | CCR6CXCR2CXCR1 | |
| SCHEMBL20721241 | 0.80 | CCR6 (1.00) | CCR6CXCR2CXCR1 | |
| SCHEMBL20721251 | 0.79 | CCR6 (1.00) | CCR6CXCR2CXCR1 | |
| SCHEMBL12087223 | 0.75 | CCR6 (0.76) | CCR6CXCR2 | |
| SCHEMBL14450159 | 0.71 | CCR6 (0.69) | CCR6CXCR2CXCR1 | |
| SCHEMBL13197774 | 0.69 | CXCR2 (0.72) | CCR6CXCR2CXCR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019036374-A1 | 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF | ALLERGAN, INC. (US) | 2019-02-21 | — | — | WO | disclosed |