Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 7/20 | 0.37 |
| ▸ | PGK1 | P00558 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PI4KA | P42356 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 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 | |
|---|---|---|---|---|
| SCHEMBL29935301 | 0.87 | DGAT1 (0.33) | DYRK1B | |
| SCHEMBL1592834 | 0.86 | MERTK (0.39) | DYRK1BALDH1A1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29930809 | 0.81 | DGAT1 (0.37) | DYRK1BALDH1A1NPSR1 | |
| SCHEMBL29930508 | 0.79 | DGAT1 (0.36) | DYRK1B | |
| SCHEMBL29930779 | 0.78 | AXL (0.41) | DYRK1BL3MBTL1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29930407 | 0.78 | DYRK1B (0.39) | DYRK1BCREBBP | |
| SCHEMBL29930401 | 0.77 | DYRK1B (0.40) | DYRK1B | |
| SCHEMBL29930815 | 0.77 | AXL (0.41) | DYRK1BALDH1A1NPSR1PIK3CDPIK3CA | |
| SCHEMBL29930730 | 0.77 | L3MBTL1 (0.45) | DYRK1BL3MBTL1CREBBPADORA2AADORA1 | |
| SCHEMBL29930917 | 0.76 | DYRK1B (0.38) | DYRK1B |
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 |