Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2085676 | 0.69 | CXCR4 (0.38) | ADORA2ACXCR4 | |
| SCHEMBL2083180 | 0.62 | CXCR4 (0.41) | CXCR4 | |
| SCHEMBL2086441 | 0.60 | CXCR4 (0.36) | CXCR4 | |
| SCHEMBL4205917 | 0.60 | PTGES (0.36) | — | |
| SCHEMBL2082883 | 0.56 | BCHE (0.35) | ADORA2A | |
| SCHEMBL20483535 | 0.55 | AGBL2 (0.41) | ADORA2ACXCR4 | |
| SCHEMBL30069421 | 0.55 | CACNA1G (0.39) | CXCR4 | |
| SCHEMBL11838246 | 0.54 | GRIN1 (0.41) | — | |
| SCHEMBL12935038 | 0.53 | CXCR4 (0.49) | CXCR4 | |
| SCHEMBL20483300 | 0.52 | ADORA2A (0.46) | ADORA2A |
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 |