Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 7/20 | 0.41 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
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 SCHEMBL27704592 | 0.83 | TSHR (0.62) | TSHRALDH1A1TDP1CA2HPGD | |
| Acrylic Acid Methyl Ester SCHEMBL28826899 | 0.83 | TSHR (0.62) | TSHRALDH1A1TDP1CA2HPGD | |
| Acrylic Acid Methyl Ester SCHEMBL27692903 | 0.82 | TSHR (0.69) | TSHRALDH1A1TDP1CA2HPGD | |
| Acrylic Acid SCHEMBL6133499 | 0.81 | ALDH1A1 (0.64) | TSHRALDH1A1TDP1CA2CA1 | |
| Acrylic Acid Methyl Ester SCHEMBL3214910 | 0.81 | TSHR (0.88) | TSHRALDH1A1TDP1CA2HPGD | |
| Acrylic Acid Methyl Ester SCHEMBL28084607 | 0.79 | TSHR (0.57) | TSHRALDH1A1TDP1CA2HPGD | |
| Acrylic Acid Methyl Ester SCHEMBL9719491 | 0.77 | TSHR (0.81) | TSHRALDH1A1TDP1CA2HPGD | |
| Acrylic Acid Ethyl Ester SCHEMBL18424749 | 0.77 | TSHR (0.81) | TSHRALDH1A1TDP1CA2HPGD | |
| Acrylic Acid Methyl Ester SCHEMBL27538149 | 0.77 | TSHR (0.50) | TSHRALDH1A1CA2HPGDCA1 | |
| Bicarbonate SCHEMBL909943 | 0.75 | ALDH1A1 (0.78) | TSHRALDH1A1TDP1CA2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2687096-A1 | Micro-biocidal composition and use of same in the conservation of technical products | Straetmans high TAC GmbH (DE) | 2014-01-22 | — | — | EP | claimed |
| EP-2687096-A1 | Micro-biocidal composition and use of same in the conservation of technical products | Straetmans high TAC GmbH (DE) | 2014-01-22 | — | — | EP | disclosed |