Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.35 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.33 |
| ▸ | WDR77 | Q9BQA1 | 2/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 5/20 | 0.31 |
| ▸ | BTK | Q06187 | 3/20 | 0.31 |
| ▸ | SMO | Q99835 | 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 | |
|---|---|---|---|---|
| SCHEMBL2085997 | 0.85 | GSK3B (0.36) | CXCR4TRPV1FAAH | |
| SCHEMBL2084436 | 0.78 | FAAH (0.38) | CXCR4TRPV1FAAH | |
| SCHEMBL2082165 | 0.75 | GSK3B (0.35) | CXCR4TRPV1 | |
| SCHEMBL12935463 | 0.75 | TRPV1 (0.34) | CXCR4TRPV1 | |
| SCHEMBL2084022 | 0.74 | CXCR4 (0.38) | CXCR4TRPV1MAPTSMO | |
| SCHEMBL23428604 | 0.74 | CXCR4 (0.46) | CXCR4MAPTBTK | |
| SCHEMBL2083283 | 0.74 | CXCR4 (0.39) | CXCR4TRPV1MAPTSMO | |
| SCHEMBL5058354 | 0.73 | CXCR4 (0.39) | CXCR4MAPT | |
| SCHEMBL2083906 | 0.73 | CXCR4 (0.36) | CXCR4TRPV1MAPTSMO | |
| SCHEMBL2083541 | 0.72 | CXCR4 (0.40) | CXCR4TRPV1MAPT |
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 |