Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HK1 | P19367 | 13/20 | 0.62 |
| ▸ | HK2 | P52789 | 13/20 | 0.62 |
| ▸ | GCK | P35557 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
| ▸ | LGALS3 | P17931 | 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 | |
|---|---|---|---|---|
| SCHEMBL9938812 | 1.00 | HK1 (0.62) | HK1HK2GCKCA1CA2 | |
| SCHEMBL9938997 | 0.79 | HK1 (0.74) | HK1HK2CA1CA2CA9 | |
| SCHEMBL9938990 | 0.79 | HK1 (0.74) | HK1HK2CA1CA2CA9 | |
| SCHEMBL9938055 | 0.78 | HK1 (0.61) | HK1HK2GCKCA1CA2 | |
| SCHEMBL9938044 | 0.78 | HK1 (0.61) | HK1HK2GCKCA1CA2 | |
| SCHEMBL9938427 | 0.76 | HK2 (0.80) | HK1HK2GCKCA9 | |
| SCHEMBL9938423 | 0.76 | HK2 (0.80) | HK1HK2GCKCA9 | |
| SCHEMBL9938276 | 0.75 | HK2 (0.75) | HK1HK2GCK | |
| SCHEMBL9937446 | 0.75 | HK1 (1.00) | HK1HK2GCK | |
| SCHEMBL9937441 | 0.75 | HK1 (1.00) | HK1HK2GCK |
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 |