Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 2/20 | 0.31 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.30 |
| ▸ | KLK1 | P06870 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL4033761 | 0.79 | CXCR4 (0.41) | CXCR4KLKB1KLK1NPSR1MEN1 | |
| SCHEMBL4030008 | 0.78 | CXCR4 (0.34) | CXCR4CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2083085 | 0.76 | CXCR4 (0.32) | CXCR4KDM4ECYP2D6KLKB1KLK1 | |
| SCHEMBL4030664 | 0.74 | PDE5A (0.35) | CXCR4KDM4EMC4RNPSR1 | |
| SCHEMBL2085695 | 0.70 | CXCR4 (0.31) | CXCR4 | |
| SCHEMBL4032120 | 0.69 | RAB9A (0.39) | KDM4ETSHRCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2084557 | 0.65 | CXCR4 (0.58) | CXCR4KDM4EKMT2ASYK | |
| SCHEMBL2084559 | 0.65 | CXCR4 (0.58) | CXCR4KDM4EKMT2ASYK | |
| SCHEMBL2085126 | 0.63 | CXCR4 (0.39) | CXCR4KDM4ETSHRTDP1NPSR1 | |
| SCHEMBL17221806 | 0.62 | SCN4A (0.37) | — |
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 |