Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 7/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 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 | |
|---|---|---|---|---|
| SCHEMBL2084807 | 0.94 | BRD4 (0.44) | BRD4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4035710 | 0.88 | BRD4 (0.43) | BRD4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2085099 | 0.84 | BRD4 (0.46) | BRD4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2084956 | 0.82 | BRD4 (0.43) | BRD4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2083824 | 0.80 | BRD4 (0.42) | BRD4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2084527 | 0.78 | BRD4 (0.42) | BRD4CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL18764825 | 0.76 | ALDH1A1 (0.53) | BRD4BCHEMAPT | |
| SCHEMBL4035412 | 0.75 | DRD2 (0.42) | CYP3A4CXCR4 | |
| SCHEMBL2083428 | 0.75 | CYP3A4 (0.43) | CYP3A4CXCR4 | |
| SCHEMBL5057529 | 0.75 | CXCR4 (0.58) | CYP2D6CXCR4 |
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 |