Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Acrylic Acid Methyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 9/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 2/20 | 0.31 |
| ▸ | FGFR4 | P22455 | 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 | |
|---|---|---|---|---|
| Acrylic Acid Methyl Ester SCHEMBL6932742 | 0.97 | HCAR2 (0.48) | HCAR2KEAP1NFE2L2TSHRHPGD | |
| Acrylic Acid Methyl Ester SCHEMBL27465044 | 0.95 | HCAR2 (0.46) | HCAR2KEAP1NFE2L2TSHRHPGD | |
| Acrylic Acid Methyl Ester SCHEMBL27696952 | 0.92 | HCAR2 (0.43) | HCAR2KEAP1NFE2L2TSHRHPGD | |
| Acrylic Acid Methyl Ester SCHEMBL28476990 | 0.92 | HCAR2 (0.43) | HCAR2KEAP1NFE2L2TSHRHPGD | |
| Acrylic Acid Methyl Ester SCHEMBL27524008 | 0.92 | HCAR2 (0.43) | HCAR2KEAP1NFE2L2TSHRHPGD | |
| Acrylic Acid Methyl Ester SCHEMBL27897238 | 0.92 | — | — | |
| Acrylic Acid Methyl Ester SCHEMBL28087356 | 0.89 | — | — | |
| Acrylic Acid Methyl Ester SCHEMBL9108 | 0.89 | — | — | |
| Acrylic Acid Methyl Ester SCHEMBL7645157 | 0.89 | HCAR2 (0.56) | HCAR2KEAP1NFE2L2TSHRHPGD | |
| Acrylic Acid Methyl Ester SCHEMBL1854813 | 0.89 | HCAR2 (0.56) | HCAR2KEAP1NFE2L2TSHRHPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101879140-A | The nanoparticle and the sustained release compositions that comprise aryl-heterocyclic compounds | ELAN PHARMA INT LTD | 2010-11-10 | — | — | CN | claimed |
| CN-101287451-A | Nanoparticulate and controlled release compositions comprising a platelet aggregation inhibitor | ELAN PHARMA INT LTD (IE) | 2008-10-15 | — | — | CN | claimed |
| CN-101287453-A | Nanoparticulate and controlled release compositions comprising a cephalosporin | ELAN PHARMA INT LTD (IE) | 2008-10-15 | — | — | CN | claimed |
| CN-101242813-A | Nanoparticulate and controlled release compositions comprising aryl-heterocyclic compounds | ELAN PHARMA INT LTD (IE) | 2008-08-13 | — | — | CN | claimed |
| US-6482875-B2 | ORGANIC FIBROUS MATERIAL AND A BINDER CONTAINING AT LEAST TWO DIFFERENT POLYACRYLATES; COMPOSITE HAS A FLOW TRANSITION RANGE OF 70 DEGREES C. TO 130 DEGREES C. | DORUS KLEBETECHNIK GMBH & CO. KG (DE) | 2002-11-19 | — | — | US | disclosed |
| US-20020032253-A1 | Organic fibrous material and a binder containing at least two different polyacrylates; composite has a flow transition range of 70 degrees C. to 130 degrees C. | HENKEL DORUS GMBH & CO. KG (DE) | 2002-03-14 | — | — | US | disclosed |