Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 2/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | F10 | P00742 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2084500 | 0.76 | CXCR4 (0.36) | MAPK1PTGES | |
| SCHEMBL2084498 | 0.76 | — | — | |
| SCHEMBL5576013 | 0.74 | CYP2A6 (0.38) | MAPK1SLC40A1F2F10 | |
| SCHEMBL2085313 | 0.72 | MAPK1 (0.39) | MAPK1SLC40A1PTGES | |
| SCHEMBL4205917 | 0.71 | PTGES (0.36) | MAPK1SLC40A1PTGES | |
| SCHEMBL5576002 | 0.70 | CXCR4 (0.37) | SLC40A1 | |
| SCHEMBL4565646 | 0.68 | CCKBR (0.33) | PTGES | |
| SCHEMBL2083396 | 0.68 | JUN (0.37) | MAPK1 | |
| SCHEMBL2080968 | 0.65 | CXCR4 (0.39) | MAPK1F2F10 | |
| SCHEMBL2085676 | 0.65 | CXCR4 (0.38) | MAPK1F2F10 |
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 |