Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 5/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2085719 | 0.88 | CXCR4 (0.48) | CXCR4 | |
| SCHEMBL2085013 | 0.88 | CXCR4 (0.37) | CXCR4MAOAMAOB | |
| SCHEMBL2082828 | 0.86 | CXCR4 (0.39) | CXCR4 | |
| SCHEMBL2084349 | 0.86 | CXCR4 (0.36) | CXCR4 | |
| SCHEMBL2084913 | 0.84 | CXCR4 (0.38) | CXCR4 | |
| SCHEMBL2080867 | 0.83 | CXCR4 (0.39) | CXCR4KDM1AMAOAMAOB | |
| SCHEMBL2085956 | 0.82 | CXCR4 (0.38) | CXCR4MAOAMAOB | |
| SCHEMBL2080968 | 0.80 | CXCR4 (0.39) | CXCR4 | |
| SCHEMBL2086071 | 0.79 | CXCR4 (0.39) | CXCR4 | |
| SCHEMBL2082894 | 0.79 | CXCR4 (0.42) | CXCR4MAOAMAOB |
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 |