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.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 5/20 | 0.92 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.92 |
| ▸ | LMNA | P02545 | 1/20 | 0.92 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.92 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL28075366 | 1.00 | ACHE (0.92) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL27418872 | 1.00 | ACHE (0.92) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL27277296 | 1.00 | ACHE (0.92) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL2592273 | 1.00 | — | — | |
| Toluene SCHEMBL7591772 | 1.00 | ACHE (0.92) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL180839 | 1.00 | — | — | |
| Toluene SCHEMBL27372731 | 1.00 | ACHE (0.92) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL522792 | 1.00 | ACHE (0.92) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL28251042 | 1.00 | ACHE (0.92) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL14953876 | 0.96 | ACHE (0.85) | ACHETSHRLMNAALOX12TDP1 |
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 306 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119859389-A | Modified PBT material for laser marking and preparation method thereof | 江阴市龙山合成材料有限公司 | 2025-04-22 | — | — | CN | claimed |
| CN-119841785-A | 5-Chloro-5-phenyl-4, 5-dihydro-isoxazole-3-carboxylic acid compound and preparation method and application thereof | 郑州手性药物研究院有限公司 | 2025-04-18 | — | — | CN | claimed |
| CN-119752130-A | Preparation method of PBAT composite material with controllable natural environment biodegradation rate | 上海日之升科技有限公司 | 2025-04-04 | — | — | CN | claimed |
| WO-2023246524-A1 | METHOD FOR PREPARING LIGNIN ADHESIVE AND PRODUCT THEREOF | 中国林业科学研究院林产化学工业研究所 | 2023-12-28 | — | — | WO | claimed |
| CN-112979456-A | Method for recycling rectification residual liquid in production process of 2, 4-dichloro-5-fluorobenzoyl chloride | 常州飞宇化工有限公司 | 2021-06-18 | — | — | CN | claimed |
| CN-112521273-A | Efficient preparation method of benzoyl chloride and special production equipment thereof | 江苏万隆化学有限公司 | 2021-03-19 | — | — | CN | claimed |
| CN-105431425-B | Compound, material for organic electroluminescent element, ink composition, organic electroluminescent element, and electronic device | 出光兴产株式会社 | 2019-10-01 | — | — | CN | claimed |
| CN-110176598-A | Negative electrode material of lithium ion battery and preparation method thereof | 蜂巢能源科技有限公司 | 2019-08-27 | — | — | CN | claimed |
| CN-106083543-B | A method of preparing sun-screening agent intermediate 2,4-DihydroxyBenzophenone | 安徽圣诺贝化学科技有限公司 | 2019-04-09 | — | — | CN | claimed |
| CN-109553525-A | A kind of synthetic method of substituted arene formyl chloride | 浙江本立科技股份有限公司 | 2019-04-02 | — | — | CN | claimed |
| CN-101298414-A | Preparation of 4-hydroxy benzophenone | UNIV EAST CHINA SCIENCE & TECH (CN) | 2008-11-05 | — | — | CN | claimed |
| CN-100364980-C | Preparation method of imidazole aromatic alcohol analog derivative with optical activity | UNIV ZHEJIANG (CN) | 2008-01-30 | — | — | CN | claimed |
| CN-101066926-A | Prepn process of 3-trifluoro methyl benzoate | SHANGHAI KANGPENG CHEMISTRY CO (CN) | 2007-11-07 | — | — | CN | claimed |
| CN-101066917-A | Process of preparing 3-trifluoromethyl benzoic acid | SHANGHAI KANGPENG CHEMISTRY CO (CN) | 2007-11-07 | — | — | CN | claimed |
| CN-1974549-A | Dichloro monomer containing sulfuryl ketone structure for polyaryl ether sulfuryl ketone and its synthesis process | DALIAN LIGHT IND COLLEGE (CN) | 2007-06-06 | — | — | CN | claimed |
| CN-1948245-A | Method of producing chlorobenzyl by photochlorination | ZHEJIANG WEIHUA CHEMICAL CO LT (CN) | 2007-04-18 | — | — | CN | claimed |
| CN-1307163-C | Imidazole aromatic alcohol derivatives and preparation and use thereof | UNIV ZHEJIANG (CN) | 2007-03-28 | — | — | CN | claimed |
| CN-1765887-A | Preparation method of imidazole aromatic alcohol analog derivative with optical activity | UNIV ZHEJIANG (CN) | 2006-05-03 | — | — | CN | claimed |
| CN-1634895-A | Imidazole aromatic alcohol derivatives and preparation and use thereof | UNIV ZHEJIANG (CN) | 2005-07-06 | — | — | CN | claimed |
| US-6544920-B1 | Efficiency; to produce polymers having a higher bulk density | BASELL POLIOLEFINE ITALIA S.P.A. (IT) | 2003-04-08 | — | — | US | claimed |