Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.41 |
| ▸ | ABL1 | P00519 | 3/20 | 0.41 |
| ▸ | PIK3C3 | Q8NEB9 | 3/20 | 0.41 |
| ▸ | BRAF | P15056 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 2/20 | 0.39 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | INSR | P06213 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13854150 | 0.79 | NUDT1 (0.56) | PIK3CAABL1PLK4CHEK1PDPK1 | |
| SCHEMBL15638845 | 0.76 | TGFBR1 (0.57) | TRPA1PIK3CAAKT1TGFBR1PIK3C3 | |
| SCHEMBL15639894 | 0.74 | TGFBR1 (0.52) | TRPA1PIK3CAAKT1TGFBR1PIK3C3 | |
| SCHEMBL15640079 | 0.74 | TGFBR1 (0.52) | TRPA1PIK3CAAKT1TGFBR1PIK3C3 | |
| SCHEMBL14977221 | 0.73 | NAMPT (0.40) | PIK3CAAKT1PIK3C3BRAFCDC7 | |
| SCHEMBL23098906 | 0.71 | PIK3CA (0.49) | PIK3CAAKT1ABL1PIK3C3PLK4 | |
| SCHEMBL15639399 | 0.71 | TGFBR1 (0.54) | TRPA1PIK3CAAKT1TGFBR1PIK3C3 | |
| SCHEMBL29930718 | 0.70 | AXL (0.61) | PIK3CAAKT1ABL1PIK3C3PLK4 | |
| SCHEMBL29730584 | 0.70 | SGK1 (0.58) | BRAFSGK1 | |
| SCHEMBL14555479 | 0.70 | PIK3CA (0.41) | TRPA1PIK3CAAKT1ABL1PIK3C3 |
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 |