Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 8/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 4/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 SCHEMBL502518 | 0.97 | HCAR2 (0.48) | HCAR2KEAP1NFE2L2ALDH1A1LMNA | |
| Acrylic Acid Methyl Ester SCHEMBL28161361 | 0.95 | HCAR2 (0.46) | HCAR2KEAP1NFE2L2ALDH1A1LMNA | |
| Acrylic Acid Methyl Ester SCHEMBL5156014 | 0.95 | HCAR2 (0.46) | HCAR2KEAP1NFE2L2ALDH1A1LMNA | |
| Acrylic Acid Methyl Ester SCHEMBL8023545 | 0.92 | HCAR2 (0.43) | HCAR2KEAP1NFE2L2ALDH1A1LMNA | |
| Acrylic Acid Methyl Ester SCHEMBL27418477 | 0.92 | LMNA (0.50) | HCAR2KEAP1NFE2L2ALDH1A1LMNA | |
| Acrylic Acid Methyl Ester SCHEMBL14892886 | 0.92 | — | — | |
| Acrylic Acid Methyl Ester SCHEMBL27489843 | 0.92 | — | — | |
| Acrylic Acid Methyl Ester SCHEMBL28308621 | 0.90 | HCAR2 (0.42) | HCAR2KEAP1NFE2L2ALDH1A1LMNA | |
| Acrylic Acid Methyl Ester SCHEMBL27802604 | 0.90 | HCAR2 (0.46) | HCAR2KEAP1NFE2L2ALDH1A1LMNA | |
| Acrylic Acid Methyl Ester SCHEMBL29240015 | 0.89 | HCAR2 (0.50) | HCAR2KEAP1NFE2L2ALDH1A1LMNA |
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-110062771-A | Polymer, resin composition, antifouling coating composition, method for producing polymer, method for forming structure for stabilizing urethane on coating film surface, and method for regenerating structure for stabilizing urethane on coating film surface | 学校法人早稻田大学 | 2019-07-26 | — | — | CN | disclosed |
| CN-104284949-B | Antifouling paint resin combination, antifouling paint and antifouling coat | 三菱丽阳株式会社 | 2016-10-12 | — | — | CN | disclosed |