Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Ethyl Acetate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL8175646 | 1.00 | ALDH1A1 (0.88) | — | |
| Ethyl Acetate SCHEMBL8496182 | 0.97 | ALDH1A1 (0.82) | — | |
| Ethyl Acetate SCHEMBL734237 | 0.97 | ALDH1A1 (0.82) | — | |
| Ethyl Acetate SCHEMBL2723060 | 0.97 | ALDH1A1 (0.93) | — | |
| Ethyl Acetate SCHEMBL16267234 | 0.97 | ALDH1A1 (0.93) | — | |
| Ethyl Acetate SCHEMBL508898 | 0.97 | ALDH1A1 (0.93) | — | |
| Ethyl Acetate SCHEMBL18237169 | 0.97 | ALDH1A1 (0.93) | — | |
| Ethyl Acetate SCHEMBL2516267 | 0.97 | ALDH1A1 (0.93) | — | |
| Ethyl Acetate SCHEMBL1150646 | 0.97 | ALDH1A1 (0.93) | — | |
| Ethyl Acetate SCHEMBL5036694 | 0.97 | ALDH1A1 (0.93) | — |
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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117946197-A | Extraction method and application of saponin component in American ginseng stem and leaf | 唐宁医药科技(济南)有限公司 | 2024-04-30 | — | — | CN | claimed |
| CN-114560808-B | Preparation method of high-purity nuciferine | 杭州医学院 | 2023-08-15 | — | — | CN | claimed |
| CN-114609276-B | Method for determining florfenicol enantiomer and metabolite thereof in fish meat by ultra-high performance synthetic phase chromatography | 杭州海关技术中心 | 2023-05-26 | — | — | CN | claimed |
| CN-114609276-A | Method for determining florfenicol enantiomer and metabolite thereof in fish through ultra-high performance synthesis phase chromatography | 杭州海关技术中心 | 2022-06-10 | — | — | CN | claimed |
| CN-114560808-A | Preparation method of high-purity nuciferine | 杭州医学院 | 2022-05-31 | — | — | CN | claimed |
| CN-107325091-B | A kind of preparation method of benzene pyrazoles humulone | 湖南海利化工股份有限公司 | 2019-09-20 | — | — | CN | claimed |
| CN-108037192-A | A kind of Liquid Chromatography-Tandem Mass Spectrometry that can detect five class medicines in edible animal product and feed at the same time | 华中农业大学 | 2018-05-15 | — | — | CN | claimed |
| CN-117946197-A | Extraction method and application of saponin component in American ginseng stem and leaf | 唐宁医药科技(济南)有限公司 | 2024-04-30 | — | — | CN | disclosed |
| CN-116791110-A | Method for electrocatalytic synthesis of benzimidazoloisoquinoline analogue | 长沙理工大学 | 2023-09-22 | — | — | CN | disclosed |
| WO-2023160475-A1 | IMIDAZOPYRIDAZINE DERIVATIVE, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 上海赛默罗生物科技有限公司 | 2023-08-31 | — | — | WO | disclosed |
| CN-114560808-B | Preparation method of high-purity nuciferine | 杭州医学院 | 2023-08-15 | — | — | CN | disclosed |
| CN-114560808-B | Preparation method of high-purity nuciferine | 杭州医学院 | 2023-08-15 | — | — | CN | disclosed |
| CN-114609276-B | Method for determining florfenicol enantiomer and metabolite thereof in fish meat by ultra-high performance synthetic phase chromatography | 杭州海关技术中心 | 2023-05-26 | — | — | CN | disclosed |
| WO-2000071518-A2 | HETEROCYCLIC ANALGESIC COMPOUNDS AND THEIR USE | SEPRACOR, INC. (US) | 2000-11-30 | — | — | WO | disclosed |
| EP-0478954-B1 | Serotonin 5HT1A and 5HT1D agonists | MERRELL PHARMA INC (US) | 2000-10-18 | — | — | EP | disclosed |
| US-5559143-A | Serotonin 5HT1A agonistic method | MERRELL PHARMACEUTICALS INC. (US) | 1996-09-24 | — | — | US | disclosed |
| CN-1105990-A | Phenylalkanolamine derivatives | HOFFMANN LA ROCHE (CH) | 1995-08-02 | — | — | CN | disclosed |
| US-5387604-A | 1,4 benzodioxin derivatives and their use as serotonin 5HT1A agonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-02-07 | — | — | US | disclosed |
| US-5189179-A | SEROTONIN 5HT1A AGONISTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-02-23 | — | — | US | disclosed |
| EP-0478954-A1 | Serotonin 5HT1A and 5HT1D antagonists | MERRELL PHARMACEUTICALS INC. (US) | 1992-04-08 | — | — | EP | disclosed |