Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 3/20 | 0.33 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.32 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL4030524 | 0.87 | MAOA (0.41) | ALDH1A1 | |
| SCHEMBL4035579 | 0.86 | TRPA1 (0.42) | NFE2L2 | |
| SCHEMBL2085063 | 0.78 | GABRA1 (0.42) | ALDH1A1 | |
| SCHEMBL4035437 | 0.76 | TRPA1 (0.36) | NFE2L2GRM2ALDH1A1 | |
| SCHEMBL4033737 | 0.74 | KDM4E (0.37) | NFE2L2ALDH1A1POLB | |
| SCHEMBL4031836 | 0.73 | NPSR1 (0.34) | NFE2L2ALDH1A1 | |
| SCHEMBL6115316 | 0.72 | TRIM24 (0.39) | ALDH1A1 | |
| SCHEMBL31256735 | 0.72 | NPC1 (0.38) | NFE2L2GPR55 | |
| SCHEMBL8309858 | 0.71 | TRIM24 (0.42) | NFE2L2ALDH1A1 | |
| SCHEMBL18250821 | 0.71 | TRIM24 (0.38) | NFE2L2ALDH1A1 |
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 |