Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.78 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | DRD2 | P14416 | 1/20 | 0.60 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL4069793 | 0.91 | CXCR4 (0.87) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4063485 | 0.91 | CXCR4 (0.87) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4062685 | 0.91 | CXCR4 (0.76) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4069312 | 0.90 | CXCR4 (0.86) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| Bromide SCHEMBL5140052 | 0.90 | CXCR4 (0.86) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| Bromide SCHEMBL5140353 | 0.90 | CXCR4 (0.86) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4068091 | 0.90 | CXCR4 (0.79) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4073962 | 0.89 | CXCR4 (0.84) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4064498 | 0.89 | CXCR4 (0.78) | CXCR4CHRM2CYP2D6DRD2OPRM1 | |
| SCHEMBL4069614 | 0.89 | CXCR4 (0.78) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1317445-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC (CA) | 2009-03-11 | — | — | EP | claimed |
| EP-1317445-B1 | CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS | ANORMED INC (CA) | 2009-03-11 | — | — | EP | disclosed |
| US-7396840-B2 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION (US) | 2008-07-08 | — | — | US | disclosed |
| US-7396840-B2 | Chemokine receptor binding heterocyclic compounds | GENZYME CORPORATION (US) | 2008-07-08 | — | — | US | disclosed |
| US-7084155-B2 | Chemokine receptor binding heterocyclic compounds | ANORMED (CA) | 2006-08-01 | — | — | US | disclosed |
| US-6864265-B2 | Chemokine receptor binding heterocyclic compounds | ANORMED, INC. (CA) | 2005-03-08 | — | — | US | disclosed |