Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 5/20 | 0.54 |
| ▸ | FAAH | O00519 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1274684 | 0.84 | CES1 (0.73) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL7808017 | 0.81 | KEAP1 (0.55) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL7277718 | 0.79 | KEAP1 (0.53) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL7460240 | 0.79 | KEAP1 (0.53) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL9770696 | 0.78 | KEAP1 (0.52) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL28460352 | 0.76 | KEAP1 (0.59) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| Phenyl Propionic Acid SCHEMBL27428011 | 0.76 | KEAP1 (0.79) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL5598351 | 0.76 | ALDH1A1 (0.61) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL8153818 | 0.76 | ALDH1A1 (0.61) | KEAP1CES1FAAHALDH1A1FFAR1 | |
| SCHEMBL15562490 | 0.76 | ALDH1A1 (0.55) | KEAP1CES1FAAHALDH1A1FFAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110683943-B | Fluoro 1, 3-eneyne compound and preparation method thereof | 上海应用技术大学 | 2023-03-31 | — | — | CN | disclosed |
| CN-113548936-A | Aroyldifluoromethyl olefin and preparation method thereof | 上海应用技术大学 | 2021-10-26 | — | — | CN | disclosed |
| CN-110683943-A | Fluoro 1, 3-eneyne compound and preparation method thereof | 上海应用技术大学 | 2020-01-14 | — | — | CN | disclosed |