Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | BCL9 | O00512 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28744788 | 0.83 | MGLL (0.45) | PPARGPPARAALDH1A1MAPTGAA | |
| SCHEMBL19668455 | 0.81 | MAPT (0.64) | PPARGPPARAALDH1A1MAPTGAA | |
| SCHEMBL7341887 | 0.81 | MAPT (0.64) | PPARGPPARAALDH1A1MAPTGAA | |
| SCHEMBL25447101 | 0.80 | PPARG (0.51) | PPARGPPARAALDH1A1MAPTGAA | |
| SCHEMBL2390983 | 0.80 | MAPT (0.55) | PPARGPPARAALDH1A1MAPTGAA | |
| SCHEMBL29401387 | 0.80 | MAPT (0.55) | PPARGPPARAALDH1A1MAPTGAA | |
| SCHEMBL2390989 | 0.80 | MAPT (0.55) | PPARGPPARAALDH1A1MAPTGAA | |
| SCHEMBL25911506 | 0.80 | MAPT (0.53) | PPARGPPARAALDH1A1MAPTGAA | |
| SCHEMBL28845986 | 0.79 | PPARA (0.56) | PPARGPPARAALDH1A1MAPTGAA | |
| SCHEMBL28845985 | 0.79 | PPARA (0.56) | PPARGPPARAALDH1A1MAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-115073442-A | Disulfide bond-containing compound, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2022-09-20 | — | — | CN | disclosed |