Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Acrylic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GRK2 | P25098 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.41 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TGM2 | P21980 | 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 | |
|---|---|---|---|---|
| Acrylic Acid SCHEMBL26693339 | 0.97 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19POLB | |
| Lithium Ion SCHEMBL6048636 | 0.95 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL8063593 | 0.92 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19POLB | |
| Zinc Ion SCHEMBL29206346 | 0.92 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL8472395 | 0.92 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL121581 | 0.92 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19POLB | |
| Potassium Ion SCHEMBL3658389 | 0.92 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL8148494 | 0.92 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL8149084 | 0.92 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19POLB | |
| SCHEMBL8153928 | 0.92 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19POLB |
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-115050922-A | Water-based binder and preparation method and application thereof | 深圳市研一新材料有限责任公司 | 2022-09-13 | — | — | CN | disclosed |