Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 12/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 6/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL8306260 | 1.00 | CXCR4 (0.38) | CXCR4OPRL1KCNH2DRD2DRD4 | |
| SCHEMBL2472087 | 1.00 | CXCR4 (0.38) | CXCR4OPRL1KCNH2DRD2DRD4 | |
| SCHEMBL2474634 | 0.88 | CXCR4 (0.38) | CXCR4OPRL1DRD2DRD4DRD3 | |
| SCHEMBL15387261 | 0.88 | CXCR4 (0.38) | CXCR4OPRL1DRD2DRD4DRD3 | |
| SCHEMBL2470062 | 0.88 | CXCR4 (0.38) | CXCR4OPRL1DRD2DRD4DRD3 | |
| SCHEMBL2472937 | 0.87 | CXCR4 (0.36) | CXCR4OPRL1KCNH2DRD2DRD4 | |
| SCHEMBL8302836 | 0.85 | CXCR4 (0.36) | CXCR4DRD2DRD4DRD3CHRM2 | |
| SCHEMBL4339345 | 0.85 | CXCR4 (0.39) | CXCR4OPRL1DRD2DRD4DRD3 | |
| SCHEMBL2474557 | 0.85 | CXCR4 (0.43) | CXCR4OPRL1 | |
| SCHEMBL2472192 | 0.85 | CXCR4 (0.39) | CXCR4OPRL1DRD2DRD4DRD3 |
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-2374804-A1 | Chemokine receptor binding heterocyclic compounds with enhanced efficacy | Genzyme Corporation (US) | 2011-10-12 | — | — | EP | claimed |
| EP-2664617-A1 | Method of making a 2,6-diaryl piperidine derivative | Genzyme Corporation (US) | 2013-11-20 | — | — | EP | disclosed |