Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 18/20 | 0.73 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3993664 | 1.00 | CXCR4 (0.73) | CXCR4CYP3A4SCN9A | |
| SCHEMBL4935802 | 0.87 | CXCR4 (0.70) | CXCR4 | |
| SCHEMBL4938545 | 0.85 | CXCR4 (1.00) | CXCR4 | |
| SCHEMBL4287996 | 0.85 | CXCR4 (1.00) | CXCR4 | |
| SCHEMBL4938546 | 0.85 | CXCR4 (1.00) | CXCR4 | |
| SCHEMBL4933539 | 0.85 | CXCR4 (1.00) | CXCR4 | |
| SCHEMBL3998366 | 0.84 | CXCR4 (0.66) | CXCR4 | |
| SCHEMBL4125051 | 0.84 | CXCR4 (0.61) | CXCR4 | |
| SCHEMBL4935750 | 0.83 | CXCR4 (0.65) | CXCR4 | |
| SCHEMBL4940055 | 0.83 | CXCR4 (0.64) | CXCR4 |
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-1778231-A4 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2009-06-03 | — | — | EP | disclosed |
| EP-1778231-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006020415-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2006-02-23 | — | — | WO | disclosed |