Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1B | Q9Y463 | 5/20 | 0.70 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.57 |
| ▸ | CLK1 | P49759 | 2/20 | 0.51 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.51 |
| ▸ | TTK | P33981 | 1/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.47 |
| ▸ | KIT | P10721 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.45 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.44 |
| ▸ | ACR | P10323 | 1/20 | 0.44 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | TEK | Q02763 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29930667 | 0.90 | DYRK1B (0.70) | DYRK1BDYRK1ACLK1DYRK2TTK | |
| SCHEMBL29930308 | 0.86 | DYRK1B (0.68) | DYRK1BDYRK1ACLK1DYRK2CDK2 | |
| SCHEMBL29930898 | 0.79 | DYRK1A (0.65) | DYRK1BDYRK1AKITAAK1 | |
| SCHEMBL12845568 | 0.78 | KIF11 (0.65) | DYRK1BKDRTEK | |
| SCHEMBL29930317 | 0.77 | DYRK1B (0.68) | DYRK1BDYRK1ACLK1DYRK2TTK | |
| SCHEMBL29930500 | 0.76 | DYRK1A (0.47) | DYRK1BDYRK1AKITCDK2CCNE2 | |
| SCHEMBL5536712 | 0.74 | KIT (0.46) | DYRK1BDYRK1AKITCDK2AAK1 | |
| SCHEMBL30912734 | 0.73 | HDAC1 (0.50) | DYRK1BDYRK1AAAK1 | |
| SCHEMBL29253948 | 0.73 | HDAC1 (0.50) | DYRK1BDYRK1AAAK1 | |
| SCHEMBL28562998 | 0.73 | DYRK1B (0.61) | DYRK1BDYRK1A |
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 2 patents. 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 | claimed |
| 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 |