Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 6/20 | 0.37 |
| ▸ | GSK3B | P49841 | 5/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.30 |
| ▸ | XPO1 | O14980 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23618787 | 0.88 | GSK3A (0.49) | GSK3AGSK3BAURKAMAPK8MAPK9 | |
| SCHEMBL31465472 | 0.84 | IRAK4 (0.32) | GSK3AGSK3BAURKAMAPK8MAPK9 | |
| SCHEMBL23618678 | 0.83 | SYK (0.45) | — | |
| SCHEMBL31612044 | 0.82 | MAPK8 (0.46) | GSK3AGSK3BAURKAMAPK8MAPK9 | |
| SCHEMBL23625491 | 0.80 | MAPK8 (0.34) | MAPK8MAPK9 | |
| SCHEMBL29936646 | 0.74 | JAK2 (0.47) | HSD11B1 | |
| SCHEMBL23618764 | 0.74 | JAK2 (0.47) | HSD11B1 | |
| SCHEMBL23618826 | 0.74 | EPHX2 (0.44) | GSK3AGSK3BMAPK8MAPK9 | |
| SCHEMBL23618743 | 0.74 | — | — | |
| SCHEMBL23618785 | 0.73 | GSK3A (0.44) | GSK3AGSK3BAURKAMAPK8 |
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-2021136463-A1 | PURINE DERIVATIVE AND MEDICAL USE THEREOF | 成都百裕制药股份有限公司 | 2021-07-08 | — | — | WO | disclosed |