Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzene. 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28303349 | 0.80 | TSHR (0.38) | — | |
| Benzene SCHEMBL10891006 | 0.76 | TSHR (0.75) | — | |
| Benzene SCHEMBL2936227 | 0.76 | — | — | |
| Benzene SCHEMBL10906411 | 0.76 | TSHR (0.75) | — | |
| Benzene SCHEMBL8407900 | 0.76 | TSHR (0.75) | — | |
| Hno SCHEMBL9340257 | 0.76 | — | — | |
| Benzene SCHEMBL6441383 | 0.76 | TSHR (0.75) | — | |
| Benzene SCHEMBL10378320 | 0.76 | TSHR (0.75) | — | |
| Benzene SCHEMBL596549 | 0.76 | — | — | |
| Benzene SCHEMBL11128314 | 0.76 | TSHR (0.75) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110294677-A | A kind of production method improving o-nitrochlorobenzene purity | 安徽东至广信农化有限公司 | 2019-10-01 | — | — | CN | claimed |
| CN-104511476-B | A method of accelerating organic contaminants in soil oxidative degradation | 江苏迈克环境工程有限公司 | 2019-05-31 | — | — | CN | claimed |
| CN-108997125-A | A kind of new process of the continuous adsorbing separation of nitro-chlorobenzene | 中国石油化工股份有限公司 | 2018-12-14 | — | — | CN | claimed |
| CN-106905088-B | Three furoxan of benzo and nitro-chlorobenzene cocrystallized explosive and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2018-08-14 | — | — | CN | claimed |
| CN-106905088-A | The furoxan of benzo three and nitro-chlorobenzene cocrystallized explosive and preparation method thereof | 中国工程物理研究院化工材料研究所 | 2017-06-30 | — | — | CN | claimed |
| CN-103626776-B | Pyrazolo[1,5-alpha] pyrimidine nitrogen mustard derivatives, preparation methods of pyrazolo[1,5-alpha] pyrimidine nitrogen mustard derivatives, and application of pyrazolo[1,5-alpha] pyrimidine nitrogen mustard derivatives in oncotherapy | 北京师范大学 | 2017-02-15 | — | — | CN | claimed |
| CN-109665660-A | The refining methd of industrial waste salt | 孙汝友 | 2019-04-23 | — | — | CN | disclosed |
| CN-109507341-A | Half volatile organic mixture scene fast gas chromatograph analysis method in water | 青岛佳明测控科技股份有限公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-108997125-A | A kind of new process of the continuous adsorbing separation of nitro-chlorobenzene | 中国石油化工股份有限公司 | 2018-12-14 | — | — | CN | disclosed |
| CN-105668759-B | A method of recycling Fenton iron mud | 浙江奇彩环境科技股份有限公司 | 2018-10-30 | — | — | CN | disclosed |
| CN-106278903-B | Thick nitro-chlorobenzene washs production method | 中国石油化工股份有限公司 | 2018-09-25 | — | — | CN | disclosed |
| CN-108251330-A | Complex micro organism fungicide for administering soil pollution and its preparation method and application | 江苏世邦生物工程科技有限公司 | 2018-07-06 | — | — | CN | disclosed |
| CN-107383112-B | The synthetic method of ferrocenyl miazines multidentate ligand and its application in Heck reactions | 郑州轻工业学院 | 2018-06-29 | — | — | CN | disclosed |
| CN-107619373-A | A kind of method for continuously synthesizing of high-purity paranitroaniline | 中国石油化工股份有限公司 | 2018-01-23 | — | — | CN | disclosed |
| CN-107383112-A | The synthetic method of ferrocenyl miazines multidentate ligand and its application in Heck reactions | 郑州轻工业学院 | 2017-11-24 | — | — | CN | disclosed |
| CN-206512117-U | Nitro-chlorobenzene continuously produces the device of Nitroanisole | 连云港泰盛化工有限公司 | 2017-09-22 | — | — | CN | disclosed |
| CN-104557557-B | A kind of method that nitrochlorobenzene meta-position oil prepares Nitroanisole | 中国石油化工股份有限公司 | 2017-06-23 | — | — | CN | disclosed |
| CN-106336359-A | Device for continuously producing nitroanisole through nitrochlorobenzene and production method | 连云港泰盛化工有限公司 | 2017-01-18 | — | — | CN | disclosed |
| CN-104262159-B | A kind of synthetic method of ortho-nitrophenyl phenolic compound | 浙江工业大学 | 2016-08-10 | — | — | CN | disclosed |
| CN-105668759-A | Method for recycling Fenton iron mud | 浙江奇彩环境科技股份有限公司 | 2016-06-15 | — | — | CN | disclosed |