Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | CCR5 | P51681 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23428555 | 0.80 | KDM4E (0.46) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL23428766 | 0.78 | CXCR4 (0.43) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL2086062 | 0.77 | CXCR4 (0.39) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL2083565 | 0.76 | CXCR4 (0.37) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL2086381 | 0.76 | CXCR4 (0.40) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL2084679 | 0.75 | L3MBTL1 (0.48) | CYP2D6SLC6A2SLC6A4SLC6A3KMT2A | |
| SCHEMBL2081333 | 0.75 | CXCR4 (0.40) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL2084852 | 0.75 | CXCR4 (0.42) | CXCR4CCR5MEN1KMT2AKCNH2 | |
| SCHEMBL4535370 | 0.75 | CCR5 (0.44) | CXCR4CCR5MEN1KMT2AKCNH2 | |
| SCHEMBL5576989 | 0.75 | CXCR4 (0.40) | CXCR4CHRM2CHRM4CHRM5CHRM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7291631-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2007-11-06 | — | — | US | disclosed |