Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.37 |
| ▸ | METAP1 | P53582 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CKS1B | P61024 | 1/20 | 0.34 |
| ▸ | SKP1 | P63208 | 1/20 | 0.34 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL2083428 | 0.84 | CYP3A4 (0.43) | L3MBTL1CYP3A4CXCR4DRD2TSHR | |
| SCHEMBL4032836 | 0.82 | CXCR4 (0.40) | L3MBTL1CYP3A4CXCR4DRD2TSHR | |
| SCHEMBL4039491 | 0.82 | CYP3A4 (0.44) | L3MBTL1CYP3A4CXCR4DRD2TSHR | |
| SCHEMBL4035412 | 0.82 | DRD2 (0.42) | L3MBTL1CYP3A4CXCR4DRD2TSHR | |
| SCHEMBL2085983 | 0.81 | CXCR4 (0.43) | L3MBTL1CYP3A4CXCR4METAP1TSHR | |
| SCHEMBL2086065 | 0.78 | CXCR4 (0.41) | L3MBTL1CYP3A4CXCR4DRD2KDM4E | |
| SCHEMBL4039107 | 0.78 | CXCR4 (0.49) | CXCR4CHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL4035655 | 0.77 | DRD2 (0.39) | L3MBTL1CYP3A4CXCR4DRD2KDM4E | |
| SCHEMBL28231828 | 0.76 | L3MBTL1 (0.51) | L3MBTL1CYP3A4METAP1CA12CA1 | |
| SCHEMBL2081783 | 0.75 | BCHE (0.48) | CXCR4KDM4E |
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 |