Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.54 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.54 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.54 |
| ▸ | GRIA1 | P42261 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.45 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.45 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.45 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.45 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NPY1R | P25929 | 2/20 | 0.42 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.42 |
| ▸ | PADI2 | Q9Y2J8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6018126 | 1.00 | CXCR4 (0.54) | CXCR4GRIN1GRIN2AGRIA1KMT2A | |
| SCHEMBL27566493 | 0.91 | CXCR4 (0.55) | CXCR4KMT2AMAPK14NPC1LMNA | |
| SCHEMBL6018215 | 0.91 | CXCR4 (0.55) | CXCR4KMT2AMAPK14NPC1LMNA | |
| SCHEMBL6671573 | 0.89 | CXCR4 (0.51) | CXCR4GRIN1GRIN2AGRIA1KMT2A | |
| SCHEMBL6018764 | 0.86 | CXCR4 (0.50) | CXCR4KMT2AMAPK14RAB9AALDH1A1 | |
| SCHEMBL6019556 | 0.86 | CXCR4 (0.50) | CXCR4KMT2AMAPK14RAB9AALDH1A1 | |
| SCHEMBL6018244 | 0.86 | CXCR4 (0.51) | CXCR4GRIN1GRIN2AKMT2AMAPK14 | |
| SCHEMBL6018116 | 0.85 | CXCR4 (0.53) | CXCR4KMT2AMAPK14NPC1LMNA | |
| SCHEMBL27566287 | 0.85 | CXCR4 (0.53) | CXCR4KMT2AMAPK14NPC1LMNA | |
| SCHEMBL6017927 | 0.82 | CXCR4 (0.49) | CXCR4KMT2ANPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1630517-A | CXCR4-antagonistic drugs composed of nitrogen-containing compound | KUREHA CHEMICAL IND CO LTD (JP) | 2005-06-22 | — | — | CN | disclosed |