Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 20/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4879547 | 0.79 | CXCR4 (0.57) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL5485843 | 0.78 | CXCR4 (0.42) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL4882916 | 0.69 | CXCR4 (0.57) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| Ammonia Solution, Strong SCHEMBL5054307 | 0.64 | CXCR4 (0.55) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL5021311 | 0.64 | CYP2D6 (0.41) | CXCR4CYP2D6 | |
| SCHEMBL5021314 | 0.64 | CYP2D6 (0.41) | CXCR4CYP2D6 | |
| SCHEMBL5021313 | 0.64 | CYP2D6 (0.41) | CXCR4CYP2D6 | |
| SCHEMBL18628746 | 0.63 | CXCR4 (0.41) | CXCR4CYP2D6 | |
| SCHEMBL4885418 | 0.63 | CXCR4 (0.55) | CXCR4CYP2D6CHRM2DRD2OPRM1 | |
| SCHEMBL4882301 | 0.63 | CXCR4 (0.52) | CXCR4CYP2D6CHRM2KCNH2 |
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-1789045-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-30 | — | — | EP | disclosed |
| WO-2006023400-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-03-02 | — | — | WO | disclosed |