Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.54 |
| ▸ | PPARG | P37231 | 1/20 | 0.51 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29493428 | 0.90 | AURKA (0.55) | PPARGSLC9A1AURKAALDH1A1NPSR1 | |
| SCHEMBL29493436 | 0.86 | LMNA (0.61) | PPARGAURKAALDH1A1NPSR1MAPT | |
| SCHEMBL28724364 | 0.86 | PPARG (0.49) | NR1H2NR1H3PPARGSLC9A1ALDH1A1 | |
| SCHEMBL28722494 | 0.85 | ALDH1A1 (0.56) | PPARGAURKAALDH1A1NPSR1MAPT | |
| SCHEMBL28724365 | 0.84 | PPARG (0.49) | NR1H2NR1H3PPARGSLC9A1ALDH1A1 | |
| SCHEMBL29493434 | 0.79 | PPARG (0.49) | PPARGAURKAALDH1A1NPSR1MAPT | |
| SCHEMBL28722166 | 0.76 | NR1H2 (0.54) | NR1H2NR1H3SLC9A1ALDH1A1NPSR1 | |
| SCHEMBL13325642 | 0.73 | SLC9A1 (0.61) | NR1H2NR1H3SLC9A1ALDH1A1NPSR1 | |
| SCHEMBL28446505 | 0.71 | AGTR1 (0.56) | NR1H2NR1H3SLC9A1ALDH1A1NPSR1 | |
| SCHEMBL22558319 | 0.70 | NR1H2 (0.51) | NR1H2NR1H3SLC9A1ALDH1A1NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114411178-B | Polysubstituted pyrazole compound and electrochemical synthesis method thereof | 南京工业大学 | 2023-06-30 | — | — | CN | disclosed |
| CN-114411178-A | Polysubstituted pyrazole compound and electrochemical synthesis method thereof | 南京工业大学 | 2022-04-29 | — | — | CN | disclosed |