Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.42 |
| ▸ | BCHE | P06276 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL3130662 | 0.82 | MCL1 (0.53) | HDAC3HDAC1HDAC2HDAC6PPARG | |
| SCHEMBL25590514 | 0.82 | CHRM2 (0.57) | CHRM2GRIN1GRIN2ABCHEACHE | |
| SCHEMBL22957856 | 0.80 | HDAC3 (0.49) | HDAC3HDAC1HDAC2HDAC6PPARG | |
| SCHEMBL2094833 | 0.80 | SLC6A3 (0.51) | HDAC3HDAC1HDAC2HDAC6PPARG | |
| SCHEMBL9903529 | 0.80 | CHRM2 (0.52) | HDAC3HDAC1HDAC2HDAC6CHRM2 | |
| SCHEMBL16269347 | 0.80 | CHRM2 (0.48) | CHRM2GRIN1GRIN2ABCHEACHE | |
| SCHEMBL13995914 | 0.80 | MEN1 (0.46) | HDAC3HDAC1HDAC2HDAC6PPARG | |
| SCHEMBL1046654 | 0.80 | MAPT (0.48) | HDAC3HDAC1HDAC2HDAC6PPARG | |
| SCHEMBL16797883 | 0.79 | HDAC3 (0.46) | GAAHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL13875905 | 0.79 | HTT (0.51) | HDAC3HDAC1HDAC2HDAC6PPARG |
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-109516982-B | Mu-opioid receptor agonist, preparation method thereof and application thereof in medicine field | 上海华汇拓医药科技有限公司 | 2022-08-23 | — | — | CN | disclosed |