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 | 0.85 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.85 |
| ▸ | LMNA | P02545 | 2/20 | 0.85 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.85 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
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 | 0.96 | ACHE (0.92) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL27372731 | 0.96 | ACHE (0.92) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL27418872 | 0.96 | ACHE (0.92) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL2592273 | 0.96 | — | — | |
| Toluene SCHEMBL7591772 | 0.96 | ACHE (0.92) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL180839 | 0.96 | — | — | |
| Toluene SCHEMBL522792 | 0.96 | ACHE (0.92) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL11348456 | 0.96 | — | — | |
| Toluene SCHEMBL31493144 | 0.96 | ACHE (0.92) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL28251042 | 0.96 | ACHE (0.92) | 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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115212921-B | Mixtures of bisphosphites having open and closed outer wing structural units and use thereof | 赢创奥克森诺有限责任两合公司 | 2024-07-12 | — | — | CN | disclosed |
| EP-4074721-B1 | DIPHOSPHITES HAVING ONE OPEN AND ONE CLOSED 2,4-METHYLATED BUILDING BLOCK | EVONIK OPERATIONS GMBH (DE) | 2023-10-04 | — | — | EP | disclosed |
| EP-4074720-B1 | MIXTURE OF BISPHOSPHITES WITH AN OPEN AND A CLOSED VOLATILE BUILDING BLOCK AND ITS USE AS CATALYST MIXTURE IN HYDROFORMYLATION | EVONIK OPERATIONS GMBH (DE) | 2023-07-19 | — | — | EP | disclosed |
| US-11565991-B2 | Mixture of bisphosphites having an open and a closed outer unit and the use thereof as a catalyst mixture in hydroformylation | EVONIK OPERATIONS GMBH (DE) | 2023-01-31 | — | — | US | disclosed |
| US-11560396-B2 | Diphosphites having an open and a closed 2,4-methylated outer unit | EVONIK OPERATIONS GMBH (DE) | 2023-01-24 | — | — | US | disclosed |
| US-20220340511-A1 | MIXTURE OF BISPHOSPHITES HAVING AN OPEN AND A CLOSED OUTER UNIT AND THE USE THEREOF AS A CATALYST MIXTURE IN HYDRFORMYLATION | EVONIK OPERATIONS GMBH (DE) | 2022-10-27 | — | — | US | disclosed |
| CN-115215903-A | Diphosphites with open and closed 2,4-methylated exo-wing building blocks | 赢创运营有限公司 | 2022-10-21 | — | — | CN | disclosed |
| CN-115212921-A | Mixture of bisphosphites having open and closed outer wing structural units and use thereof | 赢创运营有限公司 | 2022-10-21 | — | — | CN | disclosed |
| CN-106083920-B | Single bi-ester of phosphite with methyl | 赢创德固赛有限公司 | 2018-12-25 | — | — | CN | disclosed |
| CN-106083931-B | Single bi-ester of phosphite with ether | 赢创德固赛有限公司 | 2018-12-25 | — | — | CN | disclosed |
| US-20150266008-A1 | MIXTURE OF DIFFERENT ASYMMETRICAL BISOPHOSPHITES AND USE THEREOF AS A CATALYST MIXTURE IN HYDROFORMYLATION | EVONIK DEGUSSA GMBH (DE) | 2015-09-24 | — | — | US | disclosed |
| CN-104854118-A | Mixture of different asymmetrical bisophosphites and use thereof as a catalyst mixture for hydroformylation | EVONIK DEGUSSA GMBH | 2015-08-19 | — | — | CN | disclosed |
| CN-104837853-A | Bisphosphite mixture and use thereof as catalyst mixture in hydroformylation | EVONIK DEGUSSA GMBH | 2015-08-12 | — | — | CN | disclosed |
| CN-1203047-C | Biaryl ether derivatives useful as monoamine reuptake inhibitors | PFIZER PROD INC (US) | 2005-05-25 | — | — | CN | disclosed |
| US-20040162316-A1 | Combination treatment for alcoholism and alcohol dependence | PFIZER INC | 2004-08-19 | — | — | US | disclosed |
| US-6596741-B2 | Compounds of formula I exhibit activity as serotonin, norepinephrine, and dopamine reuptake inhibitors and can be used in the treatment of central nervous system and other disorders. | PFIZER INC | 2003-07-22 | — | — | US | disclosed |
| US-20030130322-A1 | Biaryl ether derivative as opiod antagonist | PFIZER INC. | 2003-07-10 | — | — | US | disclosed |
| US-20030055038-A1 | Novel biaryl ether derivatives useful as monoamine reuptake inhibitors | PFIZER INC. | 2003-03-20 | — | — | US | disclosed |
| CN-1378527-A | Biaryl ether derivatives useful as monoamine reuptake inhibitors | PFIZER PROD INC (US) | 2002-11-06 | — | — | CN | disclosed |
| US-6410736-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | PFIZER INC. | 2002-06-25 | — | — | US | 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 (7 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-20030130322-A1 | Biaryl ether derivative as opiod antagonist | OPRM1, OPRD1, OPRK1 | ACHE 427/4885CA2 4211/4885TSHR 385/4885 |
| US-11560396-B2 | Diphosphites having an open and a closed 2,4-methylated outer unit | NUDT1, DCTPP1, DPM1 | ACHE 1790/4885CA2 2472/4885TSHR 4819/4885 |
| US-20040162316-A1 | Combination treatment for alcoholism and alcohol dependence | OPRM1, SLC6A2, OPRK1 | ACHE 413/4885CA2 1903/4885TSHR 450/4885 |
| US-20220340511-A1 | MIXTURE OF BISPHOSPHITES HAVING AN OPEN AND A CLOSED OUTER UNIT AND THE USE THEREOF AS A CATALYST MIXTURE IN HYDRFORMYLATION | BPGM, FBP1, NUDT1 | ACHE 3905/4885CA2 1035/4885TSHR 4189/4885 |
| US-20150266008-A1 | MIXTURE OF DIFFERENT ASYMMETRICAL BISOPHOSPHITES AND USE THEREOF AS A CATALYST MIXTURE IN HYDROFORMYLATION | PFKFB3, PFKFB4, PPIP5K2 | ACHE 1468/4885CA2 376/4885TSHR 4687/4885 |
| US-20030055038-A1 | Novel biaryl ether derivatives useful as monoamine reuptake inhibitors | SLC6A2, SLC6A3, SLC18A2 | ACHE 250/4885CA2 4750/4885TSHR 678/4885 |
| US-11565991-B2 | Mixture of bisphosphites having an open and a closed outer unit and the use thereof as a catalyst mixture in hydroformylation | BPGM, NUDT1, PFKFB4 | ACHE 3753/4885CA2 964/4885TSHR 4157/4885 |
“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.