Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4039491 | 0.88 | CYP3A4 (0.44) | CXCR4DRD2CYP3A4TSHRL3MBTL1 | |
| SCHEMBL4035412 | 0.87 | DRD2 (0.42) | CXCR4DRD2CYP3A4TSHRL3MBTL1 | |
| SCHEMBL2083428 | 0.84 | CYP3A4 (0.43) | CXCR4DRD2CYP3A4DYRK1ATSHR | |
| SCHEMBL4032545 | 0.82 | L3MBTL1 (0.40) | CXCR4DRD2CYP3A4TSHRL3MBTL1 | |
| SCHEMBL2085707 | 0.82 | CXCR4 (0.64) | CXCR4MAPTATMCYP3A4NPSR1 | |
| SCHEMBL2085143 | 0.78 | CYP3A4 (0.42) | CXCR4MAPTATMCYP3A4DYRK1A | |
| SCHEMBL2086065 | 0.78 | CXCR4 (0.41) | CXCR4DRD2CYP3A4DYRK1AL3MBTL1 | |
| SCHEMBL4038791 | 0.77 | MAOA (0.45) | MAPTATMCYP3A4DYRK1ATSHR | |
| SCHEMBL2083791 | 0.75 | CKS1B (0.41) | CXCR4MAPTCYP3A4ALDH1A1NPSR1 | |
| SCHEMBL2081783 | 0.75 | BCHE (0.48) | CXCR4TP53SMN1; SMN2BRD4KDM4E |
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 |