Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Toluene. 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL8015120 | 1.00 | ACHE (0.85) | — | |
| Toluene SCHEMBL11113893 | 1.00 | ACHE (0.85) | — | |
| Toluene SCHEMBL11742959 | 1.00 | ACHE (0.85) | — | |
| Toluene SCHEMBL27781947 | 0.96 | ACHE (0.79) | — | |
| Toluene SCHEMBL11741374 | 0.96 | ACHE (0.79) | — | |
| Toluene SCHEMBL180839 | 0.96 | — | — | |
| Toluene SCHEMBL628172 | 0.96 | — | — | |
| Toluene SCHEMBL15009 | 0.96 | — | — | |
| Toluene SCHEMBL522792 | 0.96 | ACHE (0.92) | — | |
| Toluene SCHEMBL7591772 | 0.96 | ACHE (0.92) | — |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118320794-B | Adsorbing material for dioxin in flue gas and preparation method thereof | 杭州回水科技股份有限公司 | 2024-08-23 | — | — | CN | claimed |
| CN-118320794-A | Adsorbing material for dioxin in flue gas and preparation method thereof | 杭州回水科技股份有限公司 | 2024-07-12 | — | — | CN | claimed |
| CN-1293705-A | Heat transpiration preparation and method of the heat transpiration | EARTH CHEMICAL CO (JP) | 2001-05-02 | — | — | CN | claimed |
| CN-114127121-B | Methods and compositions for promoting and enhancing T cell mediated immune responses through ADCC targeting of CD39 expressing cells | 北京恩瑞尼生物科技股份有限公司 | 2025-04-11 | — | — | CN | disclosed |
| CN-119604610-A | Vectors and methods for in vivo antibody production | 瑞泽恩制药公司 | 2025-03-11 | — | — | CN | disclosed |
| CN-119409834-A | Methods and compositions for promoting and enhancing T cell mediated immune responses through ADCC targeting of CD39 expressing cells | 北京恩瑞尼生物科技股份有限公司 | 2025-02-11 | — | — | CN | disclosed |
| CN-118320794-B | Adsorbing material for dioxin in flue gas and preparation method thereof | 杭州回水科技股份有限公司 | 2024-08-23 | — | — | CN | disclosed |
| CN-118401547-A | Interleukin-12 self-replicating RNA and methods | 嘉晨西海(杭州)生物技术有限公司 | 2024-07-26 | — | — | CN | disclosed |
| CN-118382433-A | RNA formulations and lipids | 嘉晨西海(杭州)生物技术有限公司 | 2024-07-23 | — | — | CN | disclosed |
| CN-118320794-A | Adsorbing material for dioxin in flue gas and preparation method thereof | 杭州回水科技股份有限公司 | 2024-07-12 | — | — | CN | disclosed |
| CN-111032619-B | Adamantylmethylamine derivatives and their use as medicaments | 国立大学法人东北大学 | 2023-07-18 | — | — | CN | disclosed |
| CN-1068588-C | 1H-indole-3-acetamide splA2 inhibitors | LILLY CO ELI (US) | 2001-07-18 | — | — | CN | disclosed |
| CN-1293705-A | Heat transpiration preparation and method of the heat transpiration | EARTH CHEMICAL CO (JP) | 2001-05-02 | — | — | CN | disclosed |
| CN-1284135-A | Rapid method for assessment of inhibition and kill of anaerobic bacteria by toxic compounds | NALCO CHEMICAL CO (US) | 2001-02-14 | — | — | CN | disclosed |
| EP-1051510-A1 | A RAPID METHOD FOR THE ASSESSMENT OF THE INHIBITION AND KILL OF ANAEROBIC BACTERIA BY TOXIC COMPOUNDS | NALCO CHEMICAL COMPANY (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999034013-A1 | A RAPID METHOD FOR THE ASSESSMENT OF THE INHIBITION AND KILL OF ANAEROBIC BACTERIA BY TOXIC COMPOUNDS | NALCO CHEMICAL COMPANY (US) | 1999-07-08 | — | — | WO | 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 |