Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 4/20 | 0.31 |
| ▸ | FNTA | P49354 | 2/20 | 0.30 |
| ▸ | FNTB | P49356 | 2/20 | 0.30 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.30 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.30 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.30 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.30 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.30 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.30 |
| ▸ | PGGT1B | P53609 | 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 | |
|---|---|---|---|---|
| SCHEMBL4030008 | 0.81 | CXCR4 (0.34) | CXCR4ARPSEN1PSEN2APH1B | |
| SCHEMBL4033761 | 0.78 | CXCR4 (0.41) | CXCR4SMN1; SMN2 | |
| SCHEMBL2085768 | 0.78 | CNR1 (0.30) | AR | |
| SCHEMBL2084592 | 0.74 | ADORA2A (0.37) | CXCR4KCNA5 | |
| SCHEMBL2084581 | 0.74 | CDK1 (0.35) | AR | |
| SCHEMBL2083828 | 0.70 | CXCR4 (0.50) | CXCR4 | |
| SCHEMBL4030664 | 0.68 | PDE5A (0.35) | CXCR4SMN1; SMN2FNTAFNTB | |
| SCHEMBL25649146 | 0.67 | MEN1 (0.35) | KCNA5SMN1; SMN2FNTAFNTBPGGT1B | |
| SCHEMBL4032125 | 0.65 | CXCR4 (0.38) | CXCR4SMN1; SMN2 | |
| SCHEMBL2084418 | 0.63 | KDM4E (0.35) | CXCR4AR |
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 |