Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 6/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL2082834 | 0.85 | CXCR4 (0.33) | CXCR4HSP90AA1HSP90AB1CYP1A2ABCB11 | |
| SCHEMBL2082216 | 0.83 | CXCR4 (0.36) | CXCR4HSP90AA1HSP90AB1 | |
| SCHEMBL2083520 | 0.83 | CXCR4 (0.35) | CXCR4HSP90AA1HSP90AB1CYP1A2ABCB11 | |
| SCHEMBL2082894 | 0.83 | CXCR4 (0.42) | CXCR4HSP90AA1HSP90AB1CYP1A2ABCB11 | |
| SCHEMBL2085865 | 0.82 | CXCR4 (0.33) | CXCR4HSP90AA1HSP90AB1CYP1A2ABCB11 | |
| SCHEMBL2084457 | 0.81 | CXCR4 (0.35) | CXCR4HSP90AA1HSP90AB1CYP1A2ABCB11 | |
| SCHEMBL2085658 | 0.81 | CXCR4 (0.33) | CXCR4HSP90AA1HSP90AB1CYP1A2ABCB11 | |
| SCHEMBL2085384 | 0.78 | CXCR4 (0.43) | CXCR4CYP1A2CHRM2OPRM1KCNH2 | |
| SCHEMBL4214955 | 0.78 | CXCR4 (0.41) | CXCR4HSP90AA1HSP90AB1CYP1A2ABCB11 | |
| SCHEMBL2084798 | 0.74 | CXCR4 (0.52) | CXCR4HSP90AA1HSP90AB1CYP1A2ABCB11 |
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 |
|---|---|---|---|---|---|---|---|
| US-7863293-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2011-01-04 | — | — | US | claimed |
| US-7863293-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2011-01-04 | — | — | US | disclosed |