Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 5/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2082171 | 0.92 | ADORA2A (0.41) | CXCR4MAOAMAOBHSP90AA1HSP90AB1 | |
| SCHEMBL2083908 | 0.91 | ADORA2A (0.38) | CXCR4MAOAMAOBHSP90AA1HSP90AB1 | |
| SCHEMBL2085159 | 0.91 | CXCR4 (0.38) | CXCR4MAOAMAOBHSP90AA1HSP90AB1 | |
| SCHEMBL2083555 | 0.89 | CXCR4 (0.39) | CXCR4MAOAMAOBHSP90AA1HSP90AB1 | |
| SCHEMBL2084233 | 0.88 | CXCR4 (0.42) | CXCR4MAOAMAOBHSP90AA1HSP90AB1 | |
| SCHEMBL2084154 | 0.87 | ADORA2A (0.37) | CXCR4ADORA2AADORA1ADRB2 | |
| SCHEMBL2085140 | 0.87 | AGBL2 (0.36) | CXCR4MAOAMAOBADORA2AADORA1 | |
| SCHEMBL2084251 | 0.85 | HRH1 (0.39) | CXCR4MAOAMAOBHSP90AA1HSP90AB1 | |
| SCHEMBL2085079 | 0.85 | CXCR4 (0.35) | CXCR4MAOAMAOBADORA2AADORA1 | |
| SCHEMBL2081740 | 0.85 | CXCR4 (0.35) | CXCR4MAOAMAOBADORA2AADORA1 |
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-1613613-A4 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC (CA) | 2009-03-25 | — | — | EP | disclosed |
| EP-1613613-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004091518-A2 | CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS | ANORMED INC. (CA) | 2004-10-28 | — | — | WO | disclosed |