Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 3,4,5-Trimethoxybenzoic Acid. 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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.67 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.62 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.54 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.52 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.52 |
| ▸ | TPMT | P51580 | 5/20 | 0.75 |
| ▸ | CA12 | O43570 | 2/20 | 0.67 |
| ▸ | CA1 | P00915 | 2/20 | 0.67 |
| ▸ | CA4 | P22748 | 2/20 | 0.67 |
| ▸ | CA6 | P23280 | 2/20 | 0.67 |
| ▸ | CA7 | P43166 | 2/20 | 0.67 |
| ▸ | CA9 | Q16790 | 2/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.67 |
| ▸ | CA3 | P07451 | 1/20 | 0.67 |
| ▸ | PKM | P14618 | 1/20 | 0.67 |
| ▸ | CA5A | P35218 | 1/20 | 0.67 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | CNR2 | P34972 | 1/20 | 0.55 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 | 0.98 | TPMT (0.78) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL9739818 | 0.96 | TPMT (0.75) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL11023602 | 0.96 | TPMT (0.75) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL10838612 | 0.96 | TPMT (0.75) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL9427206 | 0.94 | TPMT (0.72) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL10876063 | 0.88 | TPMT (0.66) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL10876055 | 0.88 | TPMT (0.66) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL6559147 | 0.88 | TPMT (0.71) | TPMTCA12CA1CA2CA4 | |
| SCHEMBL17655663 | 0.88 | TPMT (0.70) | TPMTCA12CA1CA2CA4 | |
| SCHEMBL15673397 | 0.87 | TSHR (0.65) | TPMTCA12CA1CA2CA4 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4507499-A | N-(4-Hydroxybenzyl)-3,4,5-trimethoxybenzamide and method for producing trimethobenzamide chlorohydrate | FRANCIS S.P.A. (IT) | 1985-03-26 | — | — | US | claimed |
| EP-0088147-A1 | A new compound with analgesic, antiinflammatory and antipyretic activity, process for the preparation thereof and pharmaceutical compositions therefrom | AUSONIA FARMACEUTICI S.r.l. (IT) | 1983-09-14 | — | — | EP | claimed |
| EP-1513527-B1 | PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS | TAKEDA PHARMACEUTICAL (JP) | 2009-07-29 | — | — | EP | disclosed |
| WO-1998007722-A1 | QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONIST | PFIZER LIMITED (GB) | 1998-02-26 | — | — | WO | disclosed |
| US-4929614-A | GASTROINTESTINAL DISORDERS | JOUVEINAL S.A. (FR) | 1990-05-29 | — | — | US | disclosed |
| US-4751298-A | Production of 1-(3-hydroxy-propyl)-1,4-diazepane and 1,4-bis(3,4,5-trimethoxy-benzoyloxy)-propyl-diazepane derivatives thereof | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1988-06-14 | — | — | US | disclosed |
| US-4507499-A | N-(4-Hydroxybenzyl)-3,4,5-trimethoxybenzamide and method for producing trimethobenzamide chlorohydrate | FRANCIS S.P.A. (IT) | 1985-03-26 | — | — | US | disclosed |
| US-4507499-A | N-(4-Hydroxybenzyl)-3,4,5-trimethoxybenzamide and method for producing trimethobenzamide chlorohydrate | FRANCIS S.P.A. (IT) | 1985-03-26 | — | — | US | disclosed |
| EP-0123146-A2 | Compound with antiinflammatory activity, process for preparation thereof and pharmaceutical compositions therefrom | CHIESI FARMACEUTICI S.p.A. (IT) | 1984-10-31 | — | — | EP | disclosed |
| US-4435591-A | 2-(4-ISOBUTYLPHENYL)-1-PROPANOL-3,4,5-TRIMETHOXY-BENZOATE | AUSONIA FARMACEUTICI S.R.L. (IT) | 1984-03-06 | — | — | US | disclosed |
| US-4435591-A | 2-(4-ISOBUTYLPHENYL)-1-PROPANOL-3,4,5-TRIMETHOXY-BENZOATE | AUSONIA FARMACEUTICI S.R.L. (IT) | 1984-03-06 | — | — | US | disclosed |
| EP-0088147-A1 | A new compound with analgesic, antiinflammatory and antipyretic activity, process for the preparation thereof and pharmaceutical compositions therefrom | AUSONIA FARMACEUTICI S.r.l. (IT) | 1983-09-14 | — | — | EP | disclosed |
| EP-0088147-A1 | A new compound with analgesic, antiinflammatory and antipyretic activity, process for the preparation thereof and pharmaceutical compositions therefrom | AUSONIA FARMACEUTICI S.r.l. (IT) | 1983-09-14 | — | — | EP | disclosed |
| US-4240984-A | Process for producing aromatic aldehydes | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 1980-12-23 | — | — | US | disclosed |
| US-4239702-A | REACTING A BENZOIC ACID WITH ETHYL OR ISOBUTYL CHLOROFORMATE, HYDROGENATION, OPTIONAL OXIDATION | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 1980-12-16 | — | — | US | disclosed |