Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | MERTK | Q12866 | 5/20 | 0.38 |
| ▸ | ESR1 | P03372 | 6/20 | 0.37 |
| ▸ | USP7 | Q93009 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | AXL | P30530 | 2/20 | 0.34 |
| ▸ | TYRO3 | Q06418 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29930820 | 0.95 | GSK3B (0.41) | GSK3BMERTKMAPTNPC1AXL | |
| SCHEMBL29930904 | 0.91 | CLK1 (0.39) | DYRK1ADYRK1BGSK3BMERTKESR1 | |
| SCHEMBL27215091 | 0.90 | MERTK (0.39) | MERTKESR1MAPTNPC1AXL | |
| SCHEMBL29930818 | 0.88 | HSD17B2 (0.39) | DYRK1ADYRK1BNPC1DGAT1 | |
| SCHEMBL29930809 | 0.85 | DGAT1 (0.37) | DYRK1ADYRK1BMERTKESR1MAPT | |
| SCHEMBL29930883 | 0.84 | AXL (0.42) | DYRK1AGSK3BMERTKMAPTAXL | |
| SCHEMBL29930958 | 0.80 | AXL (0.39) | MERTKMAPTNPC1AXLTYRO3 | |
| SCHEMBL29930755 | 0.79 | L3MBTL1 (0.40) | MERTKNPC1 | |
| SCHEMBL29930865 | 0.77 | DYRK1A (0.44) | DYRK1ADYRK1BMERTKMAPTAXL | |
| SCHEMBL29930517 | 0.76 | PTPN11 (0.47) | MERTKMAPTNPC1AXL |
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-2022235097-A1 | PHARMACEUTICAL COMPOSITION CONTAINING NOVEL PYRAZOLO[3,4-B]PYRIDINE DERIVATIVE FOR PREVENTION OR TREATMENT OF METABOLIC DISEASE INCLUDING OBESITY AND DIABETES MELLITUS OR NONALCOHOLIC STEATOHEPATITIS | 한국화학연구원 | 2022-11-10 | — | — | WO | disclosed |