Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 4/20 | 0.31 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4205917 | 0.74 | PTGES (0.36) | PTGES | |
| SCHEMBL2084500 | 0.73 | CXCR4 (0.36) | PTGESCXCR4 | |
| SCHEMBL2084498 | 0.73 | — | — | |
| SCHEMBL4538831 | 0.68 | ADORA2A (0.31) | CXCR4 | |
| SCHEMBL4565645 | 0.68 | MAPK1 (0.35) | PTGES | |
| SCHEMBL2085313 | 0.63 | MAPK1 (0.39) | PTGESCXCR4 | |
| SCHEMBL23428823 | 0.61 | CXCR4 (0.30) | CXCR4 | |
| SCHEMBL2085676 | 0.60 | CXCR4 (0.38) | CXCR4 | |
| SCHEMBL4206736 | 0.59 | CXCR4 (0.42) | CXCR4 | |
| Ammonia Solution, Strong SCHEMBL5574435 | 0.58 | CXCR4 (0.50) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |