Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.42 |
| ▸ | AURKA | O14965 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | PKLR | P30613 | 1/20 | 0.40 |
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 | 0.82 | AURKA (0.55) | PPARGALDH1A1LMNAGAAAURKA | |
| SCHEMBL28724364 | 0.81 | PPARG (0.49) | PPARGTSHRALDH1A1MAPTMAPK1 | |
| SCHEMBL28724366 | 0.79 | NR1H2 (0.54) | PPARGALDH1A1MAPTMAPK1LMNA | |
| SCHEMBL29493436 | 0.79 | LMNA (0.61) | PPARGALDH1A1MAPTLMNAGAA | |
| SCHEMBL28721765 | 0.73 | TSHR (0.51) | TSHRALDH1A1MAPTMAPK1HSD11B1 | |
| SCHEMBL1952494 | 0.68 | LMNA (0.68) | TSHRLMNAMCOLN3HTT | |
| SCHEMBL29493432 | 0.68 | LMNA (0.48) | PPARGTSHRALDH1A1MAPTMAPK1 | |
| SCHEMBL3934050 | 0.67 | HTR6 (0.61) | TSHRALDH1A1MAPTLMNAMCOLN3 | |
| SCHEMBL13241569 | 0.64 | LMNA (0.52) | TSHRALDH1A1MAPTMAPK1HSD11B1 | |
| SCHEMBL18134604 | 0.63 | MCOLN3 (0.83) | TSHRLMNAMCOLN3HTTPKM |
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 |