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.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL11550767 | 1.00 | TSHR (0.38) | TSHRTP53TDP1ALDH1A1KCNN4 | |
| Benzene SCHEMBL407728 | 0.94 | TSHR (0.43) | TSHRTP53ALDH1A1KCNN4MEN1 | |
| Benzene SCHEMBL11054766 | 0.88 | TSHR (0.38) | TSHRTP53ALDH1A1KCNN4MEN1 | |
| Benzene SCHEMBL28304246 | 0.88 | TSHR (0.38) | TSHRTP53ALDH1A1KCNN4MEN1 | |
| Benzene SCHEMBL3158415 | 0.88 | TSHR (0.38) | TSHRTP53ALDH1A1KCNN4MEN1 | |
| Benzene SCHEMBL6037412 | 0.88 | TSHR (0.38) | TSHRTP53ALDH1A1KCNN4MEN1 | |
| Benzene SCHEMBL27657773 | 0.88 | TSHR (0.38) | TSHRTP53ALDH1A1KCNN4MEN1 | |
| Benzene SCHEMBL28068322 | 0.82 | AOC3 (0.33) | TSHRTP53ALDH1A1KCNN4 | |
| Benzene SCHEMBL28825752 | 0.82 | TSHR (0.33) | TSHRTP53ALDH1A1KCNN4 | |
| Trimethylammonium SCHEMBL6558626 | 0.79 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109796646-A | A kind of oil-filled type complex solution of carbon nano-tube modification phyllosilicate collaboration enhancing is total to gel rubber and preparation method thereof | 青岛大学 | 2019-05-24 | — | — | CN | claimed |
| CN-108822400-A | A kind of dedicated resistance to preparation method that halogen-free flame retardants is precipitated of polypropylene | 山东兄弟科技股份有限公司 | 2018-11-16 | — | — | CN | claimed |
| CN-107418287-A | Manufacture the method for coating curing agent and its application in coating | 上海药合生化科技有限公司 | 2017-12-01 | — | — | CN | claimed |
| CN-1292730-C | Hair lightening colorants comprising direct dyes | P & G CLAIROL INC (US) | 2007-01-03 | — | — | CN | claimed |
| CN-1549700-A | Hair lightening colorants comprising direct dyes | P&G | 2004-11-24 | — | — | CN | claimed |
| CN-114958156-A | Preparation method and application of coating curing agent | 深圳市华霖技术咨询服务有限公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-109796646-A | A kind of oil-filled type complex solution of carbon nano-tube modification phyllosilicate collaboration enhancing is total to gel rubber and preparation method thereof | 青岛大学 | 2019-05-24 | — | — | CN | disclosed |
| CN-108822400-A | A kind of dedicated resistance to preparation method that halogen-free flame retardants is precipitated of polypropylene | 山东兄弟科技股份有限公司 | 2018-11-16 | — | — | CN | disclosed |
| CN-107418287-A | Manufacture the method for coating curing agent and its application in coating | 上海药合生化科技有限公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-107429491-A | High gloss metallic effect paper and board | 巴斯夫欧洲公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-106944940-A | The manufacture method of electro-deposition grinding tool | 株式会社迪思科 | 2017-07-14 | — | — | CN | disclosed |
| US-20100197815-A1 | Polyparaphenylene Hydrocarbon Electrolyte, Manufacture Method Therefor, and Polyparaphenylene as well as Electrolyte Membrane, Catalyst Layer and Solid Polymer Fuel Cell | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2010-08-05 | — | — | US | disclosed |
| US-20060223947-A1 | Chemical synthesis of polymeric nanomaterials and carbon nanomaterials | THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2006-10-05 | — | — | US | disclosed |
| CN-1649905-A | Incorporable photoinitiators | CIBA SC HOLDING AG (CH) | 2005-08-03 | — | — | CN | disclosed |
| CN-1549700-A | Hair lightening colorants comprising direct dyes | P&G | 2004-11-24 | — | — | CN | disclosed |
| CN-1534400-A | Development roller | 东海橡胶工业株式会社 | 2004-10-06 | — | — | CN | disclosed |
| US-4923987-A | Process for the preparation of nitromethylene heterocyclic compounds | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-05-08 | — | — | US | disclosed |
| EP-0298530-A1 | Process for the preparation of nitromethylene heterocyclic compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-01-11 | — | — | EP | disclosed |
| US-4490473-A | Labeled antibodies and methods | PANAB (US) | 1984-12-25 | — | — | US | disclosed |
| US-4260555-A | CONDENSING A CYANOALKYL PHENYLSULFONATE WITH OXIMINOARYLNITRILE | CIBA-GEIGY CORPORATION (US) | 1981-04-07 | — | — | US | disclosed |