Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ethylbenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.88 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Ethylbenzene SCHEMBL27791172 | 0.97 | TP53 (0.82) | TP53KDM4ECYP3A4MAPTCALM1 | |
| Ethylbenzene SCHEMBL57658 | 0.97 | — | — | |
| Ethylbenzene SCHEMBL355150 | 0.97 | — | — | |
| Ethylbenzene SCHEMBL7547889 | 0.97 | TP53 (0.93) | TP53KDM4ECYP3A4MAPTCALM1 | |
| Ethylbenzene SCHEMBL11896402 | 0.97 | TP53 (0.93) | TP53KDM4ECYP3A4MAPTCALM1 | |
| Ethylbenzene SCHEMBL25237466 | 0.94 | TP53 (0.88) | TP53KDM4ECYP3A4MAPTCALM1 | |
| Ethylbenzene SCHEMBL8197460 | 0.94 | TP53 (0.88) | TP53KDM4ECYP3A4MAPTCALM1 | |
| Ethylbenzene SCHEMBL9403136 | 0.94 | TP53 (0.88) | TP53KDM4ECYP3A4MAPTCALM1 | |
| Ethylbenzene SCHEMBL29290394 | 0.94 | TP53 (0.88) | TP53KDM4ECYP3A4MAPTCALM1 | |
| Ethylbenzene SCHEMBL7271859 | 0.94 | TP53 (0.88) | TP53KDM4ECYP3A4MAPTCALM1 |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-218422082-U | A mixer that is used for quaternary ammonium salt benzethonium chloride to strain impurity | 南京和创材料科技有限公司 | 2023-02-03 | — | — | CN | claimed |
| US-7871649-B2 | Antimicrobial compositions containing synergistic combinations of quaternary ammonium compounds and essential oils and/or constituents thereof | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2011-01-18 | — | — | US | claimed |
| US-4169943-A | PROCESS FOR THE PREPARATION OF AMINO DERIVATIVES OF N-HETEROCYCLES | SCHERING AKTIENGESELLSCHAFT (DE) | 1979-10-02 | — | — | US | claimed |
| CN-115616100-B | Method for simultaneously detecting multiple biogenic amines in food by adopting high performance liquid chromatography | 广东珠江桥生物科技股份有限公司 | 2025-04-29 | — | — | CN | disclosed |
| CN-220658233-U | Screening device for preparing ammonium salt benzethonium chloride | 南京和创材料科技有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-114923993-B | Liquid chromatography system based on pre-column online derivatization method and application method | 华南理工大学 | 2023-06-20 | — | — | CN | disclosed |
| CN-219199859-U | A desiccator for ammonium salt benzethonium chloride | 南京和创材料科技有限公司 | 2023-06-16 | — | — | CN | disclosed |
| CN-218422082-U | A mixer that is used for quaternary ammonium salt benzethonium chloride to strain impurity | 南京和创材料科技有限公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-115149003-A | Multi-shell structure alloy catalyst for fuel cell and preparation method and application thereof | 东风汽车集团股份有限公司 | 2022-10-04 | — | — | CN | disclosed |
| CN-110129306-A | Immobilization transaminase and its application | 广东东阳光药业有限公司 | 2019-08-16 | — | — | CN | disclosed |
| CN-109221681-A | A kind of preparation method of cow feed additive | 黄拥亮 | 2019-01-18 | — | — | CN | disclosed |
| US-5151418-A | Muscle relaxants | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-09-29 | — | — | US | disclosed |
| US-5130309-A | Cardiovascular disorders | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-07-14 | — | — | US | disclosed |
| US-5068231-A | Ureas and thioureas for relaxing muscles | A. H. ROBINS COMPANY INCORPORATED (US) | 1991-11-26 | — | — | US | disclosed |
| US-4956359-A | CARBOXAMIDES OR THIOCARBOXAMIDES OF ARYL OXY OR THIO AZETIDINES | A. H. ROBINS COMPANY, INC. (US) | 1990-09-11 | — | — | US | disclosed |
| US-4780252-A | FORMING SALT WITH SINGLE ISOMERS OF OPTICAL ACTIVE AMINE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-10-25 | — | — | US | disclosed |
| US-4683089-A | SEPARATION OF OPTICAL ISOMERS, INSECTICIDES | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1987-07-28 | — | — | US | disclosed |
| EP-0010874-B1 | PROCESS FOR SEPARATING OPTICAL ISOMERS OF SUBSTITUTED CYCLOPROPANE CARBOXYLIC ACIDS; AMINE SALTS OF SUBSTITUTED CYCLOPROPANE CARBOXYLIC ACIDS; A SUBSTITUTED CYCLOPROPANE CARBOXYLIC ACID | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-06-22 | — | — | EP | disclosed |
| EP-0010874-A1 | Process for separating optical isomers of substituted cyclopropane carboxylic acids; amine salts of substituted cyclopropane carboxylic acids; a substituted cyclopropane carboxylic acid | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1980-05-14 | — | — | EP | disclosed |
| US-4169943-A | PROCESS FOR THE PREPARATION OF AMINO DERIVATIVES OF N-HETEROCYCLES | SCHERING AKTIENGESELLSCHAFT (DE) | 1979-10-02 | — | — | US | disclosed |