Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.52 |
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL29035924 | 0.86 | CES1 (0.52) | CES1CES2ALOX15TSHRGSK3B | |
| SCHEMBL978677 | 0.84 | CES1 (0.60) | CES1CES2ALOX15TSHRGSK3B | |
| SCHEMBL17187850 | 0.84 | CES1 (0.60) | CES1CES2ALOX15TSHRGSK3B | |
| SCHEMBL10405986 | 0.83 | CES2 (0.59) | CES1CES2ALOX15TSHRGSK3B | |
| SCHEMBL8031369 | 0.83 | CES2 (0.48) | CES1CES2ALOX15TSHRGSK3B | |
| SCHEMBL19371250 | 0.82 | CES1 (0.58) | CES1CES2ALOX15TSHRGSK3B | |
| SCHEMBL7738850 | 0.80 | CES1 (0.50) | CES1CES2ALOX15TSHRGSK3B | |
| SCHEMBL19390100 | 0.80 | CES2 (0.50) | CES1CES2ALOX15TSHRGSK3B | |
| SCHEMBL28356967 | 0.80 | CES1 (0.50) | CES1CES2ALOX15TSHRGSK3B | |
| SCHEMBL29137293 | 0.79 | CES1 (0.54) | CES1CES2GSK3BCA1CA2 |
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 |