Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HK2 | P52789 | 14/20 | 1.00 |
| ▸ | HK1 | P19367 | 13/20 | 1.00 |
| ▸ | GCK | P35557 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PYGL | P06737 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9937824 | 1.00 | HK2 (1.00) | HK2HK1GCKPTGS2ALDH1A1 | |
| SCHEMBL9971333 | 0.84 | HK1 (0.73) | HK2HK1PTGS2ALDH1A1PYGL | |
| SCHEMBL9938706 | 0.80 | HK1 (1.00) | HK2HK1PYGLCA2CA9 | |
| SCHEMBL9938700 | 0.80 | HK1 (1.00) | HK2HK1PYGLCA2CA9 | |
| SCHEMBL9971366 | 0.77 | HK1 (0.62) | HK2HK1PTGS2ALDH1A1PYGL | |
| SCHEMBL9937889 | 0.71 | HK1 (0.76) | HK2HK1PYGLCA2CA9 | |
| SCHEMBL9937895 | 0.71 | HK1 (0.76) | HK2HK1PYGLCA2CA9 | |
| SCHEMBL9938828 | 0.70 | HK1 (0.63) | HK2HK1PYGLCA2CA9 | |
| SCHEMBL9938825 | 0.70 | HK1 (0.63) | HK2HK1PYGLCA2CA9 | |
| SCHEMBL29715660 | 0.66 | HK1 (0.68) | HK2HK1PTGS2ALDH1A1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012083145-A1 | GLUCOSAMINE DERIVATIVES | GLAXO WELLCOME MANUFACTURING PTE LTD (SG) | 2012-06-21 | — | — | WO | disclosed |