Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2510482 | 0.95 | CXCR4 (0.39) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2511917 | 0.90 | CXCR4 (0.40) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2506546 | 0.87 | CXCR4 (0.42) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2504801 | 0.86 | CXCR4 (0.37) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2503584 | 0.86 | CXCR4 (0.37) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2504076 | 0.85 | CXCR4 (0.46) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2507431 | 0.85 | CXCR4 (0.41) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2509468 | 0.82 | CXCR4 (0.39) | CXCR4 | |
| SCHEMBL6047457 | 0.75 | CXCR4 (0.42) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL2084443 | 0.74 | CXCR4 (0.50) | CXCR4CHRM2CYP2D6DRD2OPRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1628533-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004106493-A2 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS WITH ENHANCED EFFICACY | ANORMED INC. (CA) | 2004-12-09 | — | — | WO | disclosed |