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 SCHEMBL28094174 | 0.95 | HCAR2 (0.46) | HCAR2KEAP1NFE2L2ALDH1A1LMNA | |
| Acrylic Acid Methyl Ester SCHEMBL28161361 | 0.95 | HCAR2 (0.46) | HCAR2KEAP1NFE2L2ALDH1A1LMNA | |
| Acrylic Acid Methyl Ester SCHEMBL27418477 | 0.92 | LMNA (0.50) | HCAR2KEAP1NFE2L2ALDH1A1LMNA | |
| Acrylic Acid Methyl Ester SCHEMBL8023545 | 0.92 | HCAR2 (0.43) | HCAR2KEAP1NFE2L2ALDH1A1LMNA | |
| Acrylic Acid Methyl Ester SCHEMBL28848665 | 0.92 | HCAR2 (0.48) | HCAR2KEAP1NFE2L2ALDH1A1LMNA | |
| Acrylic Acid Methyl Ester SCHEMBL14892886 | 0.92 | — | — | |
| Acrylic Acid Methyl Ester SCHEMBL7643400 | 0.92 | HCAR2 (0.53) | HCAR2KEAP1NFE2L2ALDH1A1LMNA | |
| Acrylic Acid Methyl Ester SCHEMBL43991 | 0.92 | — | — | |
| Acrylic Acid Methyl Ester SCHEMBL27711425 | 0.92 | HCAR2 (0.53) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106133863-B | Binder for electric double layer capacitor electrode, electric double layer capacitor electrode containing the binder, electric double layer capacitor using the electrode, and electric device | 住友精化株式会社 | 2019-11-29 | — | — | CN | disclosed |
| CN-106133863-A | Binder for electric double layer capacitor electrode, electric double layer capacitor electrode containing the binder, electric double layer capacitor using the electrode, and electric device | 住友精化株式会社 | 2016-11-16 | — | — | CN | disclosed |
| EP-1400222-B1 | Pouch for medical use | BRISTOL MYERS SQUIBB CO (US) | 2007-01-03 | — | — | EP | disclosed |
| CN-1577129-A | Gel organosol including amphipathic copolymeric binder having crosslinking functionality and liquid toners for electrophotographic applications | SAMSUNG ELECTRONICS CO LTD (KR) | 2005-02-09 | — | — | CN | disclosed |
| US-20040059306-A1 | Pouch for medical use | BRISTOL-MYERS SQUIBB COMPANY | 2004-03-25 | — | — | US | disclosed |
| EP-1400222-A1 | Pouch for medical use | Bristol-Myers Squibb Company (US) | 2004-03-24 | — | — | EP | disclosed |