Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 2/20 | 0.46 |
| ▸ | OGG1 | O15527 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29035984 | 0.86 | CES1 (0.54) | CES1CES2CA2CA1GSK3B | |
| SCHEMBL17216 | 0.86 | CES1 (0.60) | CES1CES2CA2CA1GSK3B | |
| SCHEMBL4656447 | 0.82 | CES2 (0.62) | CES1CES2CA2CA1GSK3B | |
| SCHEMBL28906999 | 0.82 | CES1 (0.50) | CES1CES2CA2CA1GSK3B | |
| SCHEMBL7958861 | 0.82 | CES1 (0.50) | CES1CES2CA2CA1GSK3B | |
| SCHEMBL583454 | 0.80 | CES1 (0.43) | CES1CES2CA2CA1GSK3B | |
| SCHEMBL29137315 | 0.79 | TRPV1 (0.53) | CES1CES2CA2CA1GSK3B | |
| SCHEMBL29137350 | 0.79 | CES1 (0.52) | CES1CES2CA2CA1GSK3B | |
| SCHEMBL29137247 | 0.79 | CA2 (0.64) | CES1CES2CA2GSK3BLMNA | |
| SCHEMBL29137235 | 0.79 | CES2 (0.64) | CES1CES2GSK3BHPGDMEN1 |
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-117326923-A | Fluorine-containing dihydronaphthalenone derivative and preparation method and application thereof | 上海应用技术大学 | 2024-01-02 | — | — | CN | disclosed |