Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 4/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.41 |
| ▸ | CKS1B | P61024 | 1/20 | 0.39 |
| ▸ | SKP1 | P63208 | 1/20 | 0.39 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4036156 | 0.82 | CKS1B (0.45) | CYP3A4KDM4EL3MBTL1TDP1CA12 | |
| SCHEMBL4036322 | 0.79 | CKS1B (0.46) | CYP3A4KDM4EL3MBTL1TDP1CA12 | |
| SCHEMBL4038789 | 0.78 | DYRK1A (0.43) | CYP3A4KDM4EL3MBTL1TDP1CA12 | |
| SCHEMBL4030707 | 0.78 | CYP3A4 (0.46) | CYP3A4KDM4EL3MBTL1TDP1CA12 | |
| SCHEMBL4039822 | 0.77 | CKS1B (0.42) | CYP3A4KDM4ETDP1CA12CA1 | |
| SCHEMBL2083428 | 0.76 | CYP3A4 (0.43) | CYP3A4KDM4EL3MBTL1TDP1CA12 | |
| SCHEMBL4035432 | 0.76 | L3MBTL1 (0.48) | CYP3A4L3MBTL1TDP1CA12CA1 | |
| SCHEMBL2081506 | 0.75 | CYP3A4 (0.50) | CYP3A4KDM4EL3MBTL1TDP1CA12 | |
| SCHEMBL4035993 | 0.74 | CYP3A4 (0.47) | CYP3A4KDM4EL3MBTL1TDP1CA12 | |
| SCHEMBL8747512 | 0.74 | KMT2A (0.50) | KDM4ETDP1CKS1BSKP1SKP2 |
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 |