Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | SSTR4 | P31391 | 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 | |
|---|---|---|---|---|
| SCHEMBL12935360 | 0.87 | CCR5 (0.41) | CCR5CXCR4TDP1KMT2AMEN1 | |
| SCHEMBL2084788 | 0.87 | NOS2 (0.43) | NOS2GRIN2BCCR5CXCR4KMT2A | |
| SCHEMBL2082179 | 0.87 | GPR119 (0.51) | KMT2AMEN1 | |
| SCHEMBL2084919 | 0.86 | TDP1 (0.42) | NOS2GRIN2BCCR5CXCR4TDP1 | |
| Hydroxyamine SCHEMBL4518793 | 0.86 | CCR5 (0.43) | GRIN2BCCR5CXCR4TDP1KMT2A | |
| SCHEMBL4535370 | 0.86 | CCR5 (0.44) | NOS2CCR5CXCR4TDP1KMT2A | |
| SCHEMBL2081000 | 0.86 | TDP1 (0.47) | CCR5CXCR4TDP1KCNH2 | |
| SCHEMBL2082352 | 0.85 | SMO (0.43) | GRIN2BCCR5CXCR4TDP1KMT2A | |
| SCHEMBL2086100 | 0.84 | TRPV1 (0.42) | NOS2GRIN2BCCR5CXCR4TDP1 | |
| SCHEMBL2083744 | 0.84 | BTK (0.43) | CCR5CXCR4TDP1KMT2AMEN1 |
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 4 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 |
| US-7291631-B2 | CXCR4 chemokine receptor binding compounds | GENZYME CORPORATION (US) | 2007-11-06 | — | — | US | 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 |