Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 1/20 | 0.53 |
| ▸ | CDK2 | P24941 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.44 |
| ▸ | LIPC | P11150 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | LIPE | Q05469 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9876903 | 0.86 | CCNA2 (0.53) | CCNA2CDK2ALDH1A1LMNAMAOB | |
| SCHEMBL9234476 | 0.77 | TNK2 (0.44) | CCNA2CDK2ALDH1A1LMNAKDM4E | |
| SCHEMBL9877072 | 0.77 | GSK3B (0.43) | — | |
| SCHEMBL9876738 | 0.77 | TP53 (0.54) | CCNA2CDK2ALDH1A1NPSR1LMNA | |
| SCHEMBL9876909 | 0.76 | LSS (0.44) | ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9876523 | 0.76 | PTGER1 (0.39) | CCNA2CDK2MAPTTSHRMAPK1 | |
| SCHEMBL9876890 | 0.74 | PTGER1 (0.50) | CCNA2CDK2ALDH1A1NPSR1HTT | |
| SCHEMBL9876520 | 0.74 | PTGER1 (0.38) | CCNA2CDK2MAPTTSHRMAPK1 | |
| SCHEMBL30879907 | 0.73 | SRC (0.48) | LMNAKDM4EDYRK1APOLBTSHR | |
| SCHEMBL9235073 | 0.73 | FABP4 (0.51) | CCNA2CDK2ALDH1A1NPSR1LMNA |
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 |