Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 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 | |
|---|---|---|---|---|
| SCHEMBL18600271 | 0.88 | CXCR4 (0.53) | CXCR4 | |
| SCHEMBL2174764 | 0.83 | CXCR4 (0.47) | CXCR4 | |
| SCHEMBL5472330 | 0.79 | CXCR4 (0.53) | CXCR4 | |
| SCHEMBL19878848 | 0.78 | CXCR4 (0.47) | CXCR4 | |
| SCHEMBL2916370 | 0.78 | CXCR4 (0.47) | CXCR4 | |
| SCHEMBL4441269 | 0.78 | CXCR4 (0.47) | CXCR4 | |
| SCHEMBL2456153 | 0.78 | CXCR4 (0.47) | CXCR4 | |
| SCHEMBL2918060 | 0.78 | CXCR4 (0.47) | CXCR4 | |
| SCHEMBL5474503 | 0.77 | — | — | |
| SCHEMBL9829832 | 0.75 | CXCR4 (0.53) | CXCR4 |
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-2429996-B1 | PROCESS FOR THE PREPARATION OF HISTAMINE H3 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2017-03-08 | — | — | EP | disclosed |