Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HK1 | P19367 | 2/20 | 0.63 |
| ▸ | HK2 | P52789 | 2/20 | 0.63 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | NOS2 | P35228 | 4/20 | 0.45 |
| ▸ | NOS3 | P29474 | 2/20 | 0.45 |
| ▸ | NOS1 | P29475 | 2/20 | 0.45 |
| ▸ | PYGL | P06737 | 10/20 | 0.45 |
| ▸ | SNCA | P37840 | 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 | |
|---|---|---|---|---|
| SCHEMBL9938828 | 1.00 | HK1 (0.63) | HK1HK2CA2CA9NOS2 | |
| SCHEMBL9937889 | 0.91 | HK1 (0.76) | HK1HK2CA2CA9PYGL | |
| SCHEMBL9937895 | 0.91 | HK1 (0.76) | HK1HK2CA2CA9PYGL | |
| SCHEMBL16025453 | 0.83 | CA9 (0.71) | HK1HK2CA2CA9SNCA | |
| SCHEMBL9971332 | 0.83 | HK1 (0.51) | HK1HK2CA2CA9NOS2 | |
| SCHEMBL9971366 | 0.82 | HK1 (0.62) | HK1HK2CA2CA9NOS2 | |
| SCHEMBL9971379 | 0.78 | HK1 (0.56) | HK1HK2CA2CA9NOS2 | |
| SCHEMBL16025452 | 0.78 | CA2 (0.71) | HK1HK2CA2CA9SNCA | |
| SCHEMBL9938700 | 0.77 | HK1 (1.00) | HK1HK2CA2CA9PYGL | |
| SCHEMBL9938706 | 0.77 | HK1 (1.00) | HK1HK2CA2CA9PYGL |
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 |