Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8665089 | 0.78 | KEAP1 (0.64) | KEAP1TDP1ALDH1A1FFAR1HDAC2 | |
| SCHEMBL10049328 | 0.74 | KEAP1 (0.54) | KEAP1TDP1ALDH1A1FFAR1HDAC2 | |
| SCHEMBL4192449 | 0.73 | KEAP1 (0.58) | KEAP1TDP1ALDH1A1FFAR1HDAC2 | |
| SCHEMBL10049324 | 0.71 | ALDH1A1 (0.57) | KEAP1TDP1ALDH1A1FFAR1HDAC2 | |
| SCHEMBL191218 | 0.71 | KEAP1 (0.61) | KEAP1TDP1ALDH1A1FFAR1HDAC2 | |
| SCHEMBL16795814 | 0.71 | TDP1 (0.50) | KEAP1TDP1ALDH1A1FFAR1HDAC2 | |
| SCHEMBL1498978 | 0.70 | KEAP1 (0.67) | KEAP1TDP1ALDH1A1FFAR1HDAC2 | |
| SCHEMBL28200575 | 0.70 | KEAP1 (0.54) | KEAP1TDP1ALDH1A1FFAR1HDAC2 | |
| SCHEMBL10049325 | 0.69 | KEAP1 (0.48) | KEAP1TDP1ALDH1A1FFAR1HDAC2 | |
| SCHEMBL4192865 | 0.69 | FFAR1 (0.60) | KEAP1TDP1ALDH1A1FFAR1HDAC2 |
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-118684548-A | Method for selective gem-difluoroallylation of (hetero) aryl phenols or polypeptides | 中国科学院上海有机化学研究所 | 2024-09-24 | — | — | CN | disclosed |
| CN-115260069-B | 3, 3-difluoroallylium salt compound and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2023-10-27 | — | — | CN | disclosed |
| CN-115260069-A | 3,3-difluoroallylonium salt compound and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2022-11-01 | — | — | CN | disclosed |