Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | AKT1 | P31749 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1320542 | 0.87 | MEN1 (0.49) | CES1ALDH1A1CES2CA2CA1 | |
| SCHEMBL16502 | 0.86 | AKT1 (0.56) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL63954 | 0.84 | CES1 (0.50) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL9550760 | 0.82 | NFE2L2 (0.48) | CES1ALDH1A1CES2TSHRDAO | |
| Hydrochloric Acid SCHEMBL4398755 | 0.82 | NFE2L2 (0.48) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL3406406 | 0.80 | TDP1 (0.54) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL29966257 | 0.80 | CA2 (0.50) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL4398750 | 0.80 | NFE2L2 (0.46) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL4863098 | 0.80 | CES2 (0.50) | CES1ALDH1A1CES2TSHRDAO | |
| SCHEMBL9781094 | 0.79 | NFE2L2 (0.70) | CES1ALDH1A1CES2TSHRDAO |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105523873-B | The preparation method of fluorine-containing ternary cycle compound, preparation method and fluoroalkyl sulfonium salt | 中国科学院上海有机化学研究所 | 2019-03-15 | — | — | CN | disclosed |
| CN-105523873-A | Fluorine-containing three-membered ring compound, preparation method of fluorine-containing three-membered ring compound and preparation method of fluoroalkyl sulfonium salt | SHANGHAI INST ORGANIC CHEMISTRY CAS | 2016-04-27 | — | — | CN | disclosed |