Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Acrylamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.73 |
| ▸ | TSHR | P16473 | 2/20 | 0.73 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.73 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 3/20 | 0.35 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.35 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Acrylamide SCHEMBL28062005 | 0.93 | ALDH1A1 (0.73) | ALDH1A1TSHRFGFR4MEN1LDHA | |
| Acrylamide SCHEMBL28881780 | 0.93 | ALDH1A1 (0.73) | ALDH1A1TSHRFGFR4MEN1LDHA | |
| Acrylic Acid SCHEMBL1100262 | 0.90 | ALDH1A1 (0.69) | ALDH1A1TSHRFGFR4MEN1LDHA | |
| Acrylamide SCHEMBL7737461 | 0.86 | — | — | |
| Acrylamide SCHEMBL1332245 | 0.86 | — | — | |
| Acrylamide SCHEMBL170034 | 0.86 | TSHR (1.00) | ALDH1A1TSHRFGFR4LDHABLM | |
| Acrylamide SCHEMBL183292 | 0.86 | TSHR (1.00) | ALDH1A1TSHRFGFR4LDHABLM | |
| Acrylamide SCHEMBL3051 | 0.86 | — | — | |
| Acrylamide SCHEMBL1332254 | 0.86 | — | — | |
| Acrylic Acid SCHEMBL11419964 | 0.84 | ALDH1A1 (0.69) | ALDH1A1TSHRFGFR4MEN1LDHA |
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-108047288-B | Preparation method of geniposide | 四川旭阳药业有限责任公司 | 2021-10-15 | — | — | CN | disclosed |
| CN-108047288-A | A kind of preparation method of Gardenoside | 四川旭阳药业有限责任公司 | 2018-05-18 | — | — | CN | disclosed |