Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | AKT1 | P31749 | 2/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | PRKCB | P05771 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | LYN | P07948 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.37 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CKS1B | P61024 | 1/20 | 0.36 |
| ▸ | SKP1 | P63208 | 1/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2083428 | 0.82 | CYP3A4 (0.43) | DRD2CYP3A4CKS1BSKP1SKP2 | |
| SCHEMBL4032545 | 0.77 | L3MBTL1 (0.40) | DRD2PDPK1CCNB2PRKCBCDK1 | |
| SCHEMBL2081783 | 0.77 | BCHE (0.48) | CXCR4KDM4EBRD4 | |
| SCHEMBL4035412 | 0.76 | DRD2 (0.42) | DRD2CYP3A4CKS1BSKP1SKP2 | |
| SCHEMBL2086065 | 0.76 | CXCR4 (0.41) | DRD2PDPK1CCNB2PRKCBCDK1 | |
| SCHEMBL4032836 | 0.75 | CXCR4 (0.40) | DRD2PDPK1CCNB2PRKCBCDK1 | |
| SCHEMBL4039491 | 0.75 | CYP3A4 (0.44) | DRD2CYP3A4CKS1BSKP1SKP2 | |
| SCHEMBL2085099 | 0.74 | BRD4 (0.46) | CYP3A4BRD4ALDH1A1 | |
| SCHEMBL2084807 | 0.73 | BRD4 (0.44) | CYP3A4CXCR4KDM4EL3MBTL1BRD4 | |
| SCHEMBL2086066 | 0.72 | CXCR4 (0.44) | CYP3A4CXCR4KDM4EL3MBTL1MEN1 |
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 |