Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL9435928 | 0.82 | — | — | |
| SCHEMBL1054328 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL10656294 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL7527399 | 0.77 | — | — | |
| SCHEMBL28133806 | 0.77 | — | — | |
| Acrylamide SCHEMBL27989513 | 0.73 | ALDH1A1 (0.55) | ALDH1A1TSHRFGFR4CYP2C9ALOX15 | |
| Acrylamide SCHEMBL6037032 | 0.73 | ALDH1A1 (0.55) | ALDH1A1TSHRFGFR4CYP2C9ALOX15 | |
| Acrylamide SCHEMBL81627 | 0.73 | ALDH1A1 (0.55) | ALDH1A1TSHRFGFR4CYP2C9ALOX15 | |
| Trientine SCHEMBL3255538 | 0.71 | CA12 (0.52) | ALDH1A1TSHRFGFR4CYP2C9ALOX15 | |
| Trientine SCHEMBL731670 | 0.71 | CA12 (0.52) | ALDH1A1TSHRFGFR4CYP2C9ALOX15 |
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-109225172-B | Cadmium carbonate adsorbing material in wheat field soil, preparation and application | 长安大学 | 2021-05-18 | — | — | CN | disclosed |