Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 4/20 | 0.49 |
| ▸ | PTGFR | P43088 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.35 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4032125 | 0.88 | CXCR4 (0.38) | CXCR4PTGFRKMT2ASCN8ATSHR | |
| Ammonia Solution, Strong SCHEMBL5574435 | 0.75 | CXCR4 (0.50) | CXCR4KMT2ADUSP3PTPN11SCN8A | |
| SCHEMBL2086487 | 0.74 | CXCR4 (0.38) | CXCR4ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4033309 | 0.72 | CXCR4 (0.44) | CXCR4KMT2AALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL2087023 | 0.72 | CXCR4 (0.52) | CXCR4KMT2ADUSP3PTPN11SCN8A | |
| SCHEMBL2084301 | 0.70 | CXCR4 (0.55) | CXCR4KMT2ADUSP3PTPN11SCN8A | |
| SCHEMBL5574432 | 0.70 | CXCR4 (0.48) | CXCR4KMT2ADUSP3PTPN11SCN8A | |
| SCHEMBL11175372 | 0.69 | TAAR1 (0.50) | PTGFRLMNAALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL31256717 | 0.69 | CXCR4 (0.40) | CXCR4ALDH1A1CYP1A2 | |
| SCHEMBL2083874 | 0.68 | CXCR4 (0.38) | CXCR4KMT2ACYP1A2CYP2C19CYP3A4 |
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 |