Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 3/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CKS1B | P61024 | 1/20 | 0.35 |
| ▸ | SKP1 | P63208 | 1/20 | 0.35 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | STK17B | O94768 | 1/20 | 0.34 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4032836 | 0.88 | CXCR4 (0.40) | CYP3A4DRD2CXCR4TSHRKDM4E | |
| SCHEMBL4035412 | 0.87 | DRD2 (0.42) | CYP3A4DRD2CXCR4TSHRCKS1B | |
| SCHEMBL2083428 | 0.84 | CYP3A4 (0.43) | CYP3A4DRD2CXCR4TSHRCKS1B | |
| SCHEMBL4032545 | 0.82 | L3MBTL1 (0.40) | CYP3A4DRD2CXCR4TSHRCKS1B | |
| SCHEMBL2084285 | 0.82 | CXCR4 (0.49) | CYP3A4CXCR4TSHRCKS1BSKP1 | |
| SCHEMBL2085143 | 0.78 | CYP3A4 (0.42) | CYP3A4CXCR4TSHRCKS1BSKP1 | |
| SCHEMBL2086065 | 0.78 | CXCR4 (0.41) | CYP3A4DRD2CXCR4CKS1BSKP1 | |
| SCHEMBL2081783 | 0.75 | BCHE (0.48) | CXCR4KDM4E | |
| SCHEMBL4035655 | 0.75 | DRD2 (0.39) | CYP3A4DRD2CXCR4CKS1BSKP1 | |
| SCHEMBL4035993 | 0.75 | CYP3A4 (0.47) | CYP3A4TSHRKDM4EL3MBTL1STING1 |
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 |