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 SCHEMBL7163752 | 1.00 | ACHE (0.92) | ACHETSHRLMNAALOX12TDP1 | |
| 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 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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113845255-B | Effluent treatment plant is used in biphenyl dichloro benzyl production | 东营市金凤凰化工股份有限公司 | 2022-03-11 | — | — | CN | claimed |
| CN-113845255-A | Effluent treatment plant is used in biphenyl dichloro benzyl production | 东营市金凤凰化工股份有限公司 | 2021-12-28 | — | — | CN | claimed |
| CN-118119626-A | Fused bicyclic heteroaryl compounds useful as NLRP3 inhibitors | 豪夫迈·罗氏有限公司 | 2024-05-31 | — | — | CN | disclosed |
| CN-114621088-B | Preparation method of diethyl terephthalamide | 安徽新秀化学股份有限公司 | 2023-12-01 | — | — | CN | disclosed |
| CN-114621088-A | Preparation method of diethyl p-xylylene diacrylate | 萧县新秀新材料有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-109320637-B | Supported metallocene catalyst for ethylene polymerization and preparation method thereof | 吉化集团吉林市天龙催化剂有限公司 | 2021-10-22 | — | — | CN | disclosed |
| CN-105777799-B | A kind of benzoyl hydrazone Dibenzyltin complex and its preparation method and application | 衡阳师范学院 | 2018-11-27 | — | — | CN | disclosed |
| CN-106220676-B | A kind of 2- carbonyl propionic acids are to methoxybenzoyl hydrazone Dibenzyltin complex and its preparation method and application | 衡阳师范学院 | 2018-09-14 | — | — | CN | disclosed |
| CN-106220674-B | A kind of Dibenzyltin complex and its preparation method and application | 衡阳师范学院 | 2018-09-07 | — | — | CN | disclosed |
| CN-108368270-A | The method for being used to prepare the graft copolymer based on polyolefin comprising the short-chain branched polyolefin block of the first functionalization and one or more polymer lateral chains | SABIC环球技术有限责任公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-108291032-A | The method for being used to prepare the graft copolymer based on polyolefin comprising the first long-chain branched polyolefins block and one or more polymer lateral chains | SABIC环球技术有限责任公司 | 2018-07-17 | — | — | CN | disclosed |
| US-20090221770-A1 | POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME | DOW GLOBAL TECHNOLOGIES INC. | 2009-09-03 | — | — | US | disclosed |
| CN-101356006-A | Polydentate heteroatom ligand containing metal complexes, catalysts and methods of making and using the same | DOW GLOBAL TECHNOLOGIES INC (US) | 2009-01-28 | — | — | CN | disclosed |
| EP-1973655-A2 | POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME | DOW GLOBAL TECHNOLOGIES INC. (US) | 2008-10-01 | — | — | EP | disclosed |
| CN-101001885-A | Supported bis(hydroxyarylaryloxy) catalysts for manufacture of polymers | DOW GLOBAL TECHNOLOGIES INC (US) | 2007-07-18 | — | — | CN | disclosed |
| WO-2007075299-A2 | POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME | DOW GLOBAL TECHNOLOGIES INC. (US) | 2007-07-05 | — | — | WO | disclosed |
| EP-1021450-A1 | ALUMINOXANE PROCESS AND PRODUCT | ALBEMARLE CORPORATION (US) | 2000-07-26 | — | — | EP | disclosed |
| US-5902891-A | Aluminoxane process and product | ALBEMARLE CORPORATION (US) | 1999-05-11 | — | — | US | disclosed |
| US-5693838-A | Aluminoxane process and product | ALBEMARLE CORPORATION (US) | 1997-12-02 | — | — | US | disclosed |
| WO-1997018218-A1 | ALUMINOXANE PROCESS AND PRODUCT | ALBEMARLE CORPORATION (US) | 1997-05-22 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090221770-A1 | POLYDENTATE HETEROATOM LIGAND CONTAINING METAL COMPLEXES, CATALYSTS AND METHODS OF MAKING AND USING THE SAME | PICALM, PARG, POLM | ACHE 2364/4885CA2 697/4885TSHR 4575/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.