Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 13/20 | 0.55 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.32 |
| ▸ | GPR142 | Q7Z601 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | NQO2 | P16083 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2087023 | 0.94 | CXCR4 (0.52) | CXCR4DUSP3KMT2APTPN11SCN8A | |
| SCHEMBL2085127 | 0.87 | CXCR4 (0.52) | CXCR4SCN8AHSP90AA1HSP90AB1ABCB11 | |
| Hydrochloric Acid SCHEMBL2083504 | 0.86 | CXCR4 (0.51) | CXCR4SCN8AHSP90AA1HSP90AB1ABCB11 | |
| SCHEMBL2083756 | 0.83 | CXCR4 (0.53) | CXCR4GPR142CHRM2 | |
| SCHEMBL2084798 | 0.80 | CXCR4 (0.52) | CXCR4GPR142HSP90AA1HSP90AB1ABCB11 | |
| SCHEMBL2084903 | 0.80 | CXCR4 (0.48) | CXCR4SCN8AGPR142ADRB2CHRM2 | |
| SCHEMBL2085719 | 0.80 | CXCR4 (0.48) | CXCR4KMT2ASCN8ACYP1A2 | |
| Hydrochloric Acid SCHEMBL4566243 | 0.78 | HRH1 (0.41) | CXCR4CYP1A2 | |
| SCHEMBL2083954 | 0.78 | CXCR4 (0.40) | CXCR4GPR142HSP90AA1HSP90AB1ABCB11 | |
| SCHEMBL2084352 | 0.78 | CXCR4 (0.45) | CXCR4GPR142HSP90AA1HSP90AB1ABCB11 |
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-7863293-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2011-01-04 | — | — | US | disclosed |