Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Acetic Acid Butyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | EPHX2 | P34913 | 7/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL27610055 | 0.87 | ALDH1A1 (0.62) | ALDH1A1EPHX2TDP1L3MBTL1TSHR | |
| Acetic Acid Butyl Ester SCHEMBL27499615 | 0.83 | ALDH1A1 (0.62) | ALDH1A1TDP1L3MBTL1TSHRLMNA | |
| SCHEMBL28215900 | 0.81 | EPHX2 (0.56) | ALDH1A1EPHX2TDP1L3MBTL1TSHR | |
| SCHEMBL198523 | 0.79 | ESR1 (0.59) | ALDH1A1TDP1L3MBTL1TSHRLMNA | |
| Acetic Acid Butyl Ester SCHEMBL27934470 | 0.78 | ALDH1A1 (0.86) | ALDH1A1TDP1L3MBTL1TSHRLMNA | |
| Acetic Acid Butyl Ester SCHEMBL3339778 | 0.78 | — | — | |
| Hydrogen Peroxide SCHEMBL27761851 | 0.78 | ESR1 (0.57) | ALDH1A1TDP1L3MBTL1TSHRLMNA | |
| Ammonia Solution, Strong SCHEMBL10348735 | 0.78 | ESR1 (0.57) | ALDH1A1TDP1L3MBTL1TSHRLMNA | |
| Naphthalene SCHEMBL28085391 | 0.78 | ALDH1A1 (0.69) | ALDH1A1TDP1L3MBTL1TSHRLMNA | |
| Acetic Acid Butyl Ester SCHEMBL27642793 | 0.77 | ALDH1A1 (0.82) | ALDH1A1TDP1L3MBTL1TSHRLMNA |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110317118-A | 2,4 dichlorophenoxyacetic acid butyl ester is improving utilization rate of nitrogen fertilizer and/or is reducing the application in nitrogen loss | 福建省农业科学院土壤肥料研究所 | 2019-10-11 | — | — | CN | claimed |
| CN-105671074-B | A kind of carrier improving plant methionine contents and its construction method and purposes | 四川省农业科学院生物技术核技术研究所 | 2019-06-14 | — | — | CN | claimed |
| CN-107915515-A | A kind of method of soil improvement in vinyl house | 夏新发 | 2018-04-17 | — | — | CN | claimed |
| CN-107573164-A | A kind of dedicated fertilizer beneficial to potato growth | 南京仙草堂生物科技有限公司 | 2018-01-12 | — | — | CN | claimed |
| CN-107324878-A | A kind of crop growth accelerant | 安徽誉秀农业科技有限公司 | 2017-11-07 | — | — | CN | claimed |
| CN-106404972-A | Method for simultaneous determination of six residual plant-growth regulators in bean sprout by using gas chromatography-tandem mass spectrometry | 浙江省检验检疫科学技术研究院 | 2017-02-15 | — | — | CN | claimed |
| CN-104996463-A | Corn yield improvement accelerant | XU YANJI | 2015-10-28 | — | — | CN | claimed |
| CN-102047881-A | 2, 4-dichlorphenoxyacetic acid butyl ester water emulsion and preparation method thereof | WEIHAI HANFU BIOCHEMICAL PHARMACEUTICAL CO LTD | 2011-05-11 | — | — | CN | claimed |
| CN-106404972-B | Gas-chromatography tandem mass spectrometry measures the remaining method of 6 plant growth regulators in bean sprouts simultaneously | 浙江省检验检疫科学技术研究院 | 2019-10-25 | — | — | CN | disclosed |
| CN-110317118-A | 2,4 dichlorophenoxyacetic acid butyl ester is improving utilization rate of nitrogen fertilizer and/or is reducing the application in nitrogen loss | 福建省农业科学院土壤肥料研究所 | 2019-10-11 | — | — | CN | disclosed |
| CN-110317118-A | 2,4 dichlorophenoxyacetic acid butyl ester is improving utilization rate of nitrogen fertilizer and/or is reducing the application in nitrogen loss | 福建省农业科学院土壤肥料研究所 | 2019-10-11 | — | — | CN | disclosed |
| CN-110028406-A | A kind of synthetic method of substituted phenoxy acetic acid ester type compound | 鹤岗市英力农化有限公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-105154375-B | One kind is for the degrade remaining microbial inoculum of phenoxy carboxylic acid herbicides and preparation method | 安徽农业大学 | 2019-01-18 | — | — | CN | disclosed |
| CN-109095728-A | A kind of rainfall runoff purification device and purification method | 环境保护部南京环境科学研究所 | 2018-12-28 | — | — | CN | disclosed |
| CN-102217595-B | Phytocide granule and preparation method of granule | UNIV SHAOXING | 2013-09-25 | — | — | CN | disclosed |
| CN-102027911-B | Herbicidal composition containing dithiopyr and 2,4-dichlorophenoxy acetic acid and application thereof | NANJING HUAZHOU PHARMACEUTICAL | 2013-06-19 | — | — | CN | disclosed |
| CN-102047881-A | 2, 4-dichlorphenoxyacetic acid butyl ester water emulsion and preparation method thereof | WEIHAI HANFU BIOCHEMICAL PHARMACEUTICAL CO LTD | 2011-05-11 | — | — | CN | disclosed |
| CN-102027911-A | Herbicidal composition containing dithiopyr and 2,4-dichlorophenoxy acetic acid and application thereof | NANJING HUAZHOU PHARMACEUTICAL | 2011-04-27 | — | — | CN | disclosed |
| CN-101402927-B | 2,4-dichlorobenzene oxygen butyl acetate pesticide residue degradation bacterium and produced bacterium agent thereof | UNIV NANJING AGRICULTURAL | 2010-10-20 | — | — | CN | disclosed |
| CN-101402927-A | 2,4-dichlorobenzene oxygen butyl acetate pesticide residue degradation bacterium and produced bacterium agent thereof | UNIV NANJING AGRICULTURAL (CN) | 2009-04-08 | — | — | CN | disclosed |