Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TLR2 | O60603 | 7/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 2/20 | 0.40 |
| ▸ | FPGS | Q05932 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6667469 | 1.00 | CXCR4 (0.47) | CXCR4HPGDHSD17B10TLR2ITGB3 | |
| SCHEMBL6671573 | 0.90 | CXCR4 (0.51) | CXCR4ITGB3ITGA2BDHFRFPGS | |
| SCHEMBL27566287 | 0.87 | CXCR4 (0.53) | CXCR4KMT2AL3MBTL1ALDH1A1MAPK14 | |
| SCHEMBL6018116 | 0.87 | CXCR4 (0.53) | CXCR4KMT2AL3MBTL1ALDH1A1MAPK14 | |
| SCHEMBL6019556 | 0.87 | CXCR4 (0.50) | CXCR4HPGDHSD17B10TLR2KMT2A | |
| SCHEMBL6018764 | 0.87 | CXCR4 (0.50) | CXCR4HPGDHSD17B10TLR2KMT2A | |
| SCHEMBL6670076 | 0.85 | CXCR4 (0.48) | CXCR4HPGDHSD17B10ITGB3ITGA2B | |
| SCHEMBL27597836 | 0.84 | CXCR4 (0.49) | CXCR4HPGDHSD17B10CA2DHFR | |
| SCHEMBL6669795 | 0.83 | CXCR4 (0.47) | CXCR4HPGDHSD17B10TLR2CA2 | |
| Phenylhydrazine SCHEMBL6690774 | 0.83 | CXCR4 (0.50) | CXCR4DHFRKMT2AALDH1A1MAPK14 |
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 2 patents. 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 |
| CN-1423635-A | Nitrogenous compounds and antiviral drugs containing the same | KUREHA CHEMICAL IND CO LTD (JP) | 2003-06-11 | — | — | CN | disclosed |