Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 4/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 7/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | MERTK | Q12866 | 2/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.30 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.30 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.30 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.30 |
| ▸ | PRKAG3 | Q9UGI9 | 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 | |
|---|---|---|---|---|
| SCHEMBL1592834 | 0.90 | MERTK (0.39) | DGAT1DYRK1ADYRK1BMERTKAURKA | |
| SCHEMBL29930779 | 0.88 | AXL (0.41) | DGAT1DYRK1ADYRK1BMERTKAURKA | |
| SCHEMBL29930508 | 0.87 | DGAT1 (0.36) | DGAT1DYRK1ADYRK1BMERTKMAPT | |
| SCHEMBL29930721 | 0.86 | MERTK (0.42) | DGAT1MERTKNPC1MAPTALDH1A1 | |
| SCHEMBL29930712 | 0.85 | DYRK1A (0.38) | DGAT1DYRK1ADYRK1BESR1MERTK | |
| SCHEMBL29930707 | 0.85 | DYRK1A (0.45) | DYRK1ADYRK1B | |
| SCHEMBL29930401 | 0.85 | DYRK1B (0.40) | DGAT1DYRK1BMERTKAURKARET | |
| SCHEMBL29930775 | 0.85 | MAPT (0.35) | DGAT1NPC1MAPTALDH1A1MAPK1 | |
| SCHEMBL29930917 | 0.84 | DYRK1B (0.38) | DGAT1DYRK1BMERTKKDR | |
| SCHEMBL29930904 | 0.84 | CLK1 (0.39) | DGAT1DYRK1ADYRK1BESR1MERTK |
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 |