Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 4/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.32 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | PTGER4 | P35408 | 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 | |
|---|---|---|---|---|
| SCHEMBL4030008 | 0.86 | CXCR4 (0.34) | PDE5AEGLN1CXCR4ALDH1A1CNR1 | |
| SCHEMBL4030668 | 0.82 | CXCR4 (0.34) | SMN1; SMN2CXCR4HCRTR1HCRTR2GRM4 | |
| SCHEMBL2080870 | 0.80 | HPGD (0.33) | PDE5AHCRTR1HCRTR2KDM4EALDH1A1 | |
| SCHEMBL2081315 | 0.77 | CXCR4 (0.49) | SMN1; SMN2CXCR4KDM4EALDH1A1HPGD | |
| SCHEMBL4036473 | 0.74 | KDM4E (0.41) | EGLN1KDM4EALDH1A1ALOX15HSD17B10 | |
| SCHEMBL4033759 | 0.74 | CXCR4 (0.39) | CXCR4KDM4ENPSR1MC4R | |
| SCHEMBL2084858 | 0.72 | ADORA2A (0.40) | HCRTR1HCRTR2KDM4EALDH1A1HPGD | |
| SCHEMBL2082555 | 0.72 | MRGPRX4 (0.39) | PDE5ASMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL2084345 | 0.70 | ADORA2A (0.36) | KDM4EALDH1A1HPGDMRGPRX4 | |
| SCHEMBL4030012 | 0.68 | CXCR4 (0.35) | SMN1; SMN2CXCR4FNTAFNTB |
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 |