Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 3/20 | 0.50 |
| ▸ | EDNRB | P24530 | 1/20 | 0.48 |
| ▸ | EDNRA | P25101 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 3/20 | 0.47 |
| ▸ | STK10 | O94804 | 1/20 | 0.47 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.47 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.45 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28605783 | 0.80 | L3MBTL1 (0.40) | PGRKDM4ETP53CYP3A4MAPT | |
| SCHEMBL6990514 | 0.74 | PTGS2 (0.71) | — | |
| SCHEMBL12101838 | 0.72 | PGR (0.43) | HDAC4HDAC8PGRGSK3BSTK10 | |
| SCHEMBL5869135 | 0.71 | HPGD (0.49) | HDAC4HDAC8PGRGSK3BSTK10 | |
| SCHEMBL6991660 | 0.71 | HPGD (0.50) | HDAC4HDAC8PGRGSK3BSTK10 | |
| SCHEMBL28612356 | 0.70 | PTGS2 (0.49) | PGRKDM4EMEN1MAPTTSHR | |
| SCHEMBL28606507 | 0.70 | PTGS2 (0.49) | PGREDNRAGSK3BKDM4EHPGD | |
| SCHEMBL9274675 | 0.70 | HDAC4 (0.50) | HDAC4HDAC8KDM4EMEN1TP53 | |
| SCHEMBL4789169 | 0.69 | GSK3B (0.62) | GSK3BSTK10SLKGAA | |
| SCHEMBL29489425 | 0.69 | CYP3A4 (0.73) | HDAC4HDAC8KDM4ECYP3A4CYP2C9 |
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-108586397-B | Method for preparing tetronic acid by cyclizing enolization of propargyl alcohol and carbon dioxide | 四川大学 | 2021-07-02 | — | — | CN | disclosed |