Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. 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 | |
|---|---|---|---|---|
| SCHEMBL456975 | 0.97 | — | — | |
| Water SCHEMBL27557308 | 0.93 | — | — | |
| Oxalic Acid SCHEMBL567184 | 0.81 | KDM4E (0.39) | — | |
| Hydrochloric Acid SCHEMBL16761161 | 0.79 | — | — | |
| SCHEMBL14037579 | 0.77 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL8962626 | 0.76 | CYP2D6 (0.41) | — | |
| Hydrochloric Acid SCHEMBL473384 | 0.76 | CYP2D6 (0.41) | — | |
| Hydrochloric Acid SCHEMBL15270046 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4662207 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4660877 | 0.73 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114555565-B | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-03-05 | — | — | CN | disclosed |
| WO-2023020521-A1 | PYRIDINE FUSED PYRIMIDINE DERIVATIVES AND USE THEREOF | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2023-02-23 | — | — | WO | disclosed |
| CN-114555565-A | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2022-05-27 | — | — | CN | disclosed |
| WO-2021114691-A1 | NITROGEN-CONTAINING RING-FUSED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2021-06-17 | — | — | WO | disclosed |
| EP-3031799-B1 | AROMATIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2018-04-04 | — | — | EP | disclosed |
| US-9776962-B2 | Aromatic compounds with GPR40 agonistic activity | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-10-03 | — | — | US | disclosed |
| EP-3031799-A1 | AROMATIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2016-06-15 | — | — | EP | disclosed |
| US-20160115128-A1 | AROMATIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-04-28 | — | — | US | disclosed |
| US-8703987-B2 | Methods for preparing 2-methoxyisobutylisonitrile and tetrakis(2-methoxyisobutylisonitrile)copper(I) tetrafluoroborate | Draximage Limited (IE) | 2014-04-22 | — | — | US | disclosed |
| US-20100010250-A1 | METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE | Draximage Limited (IE) | 2010-01-14 | — | — | US | disclosed |
| EP-2099742-A1 | METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE | Draximage Limited (IE) | 2009-09-16 | — | — | EP | disclosed |
| US-7563920-B2 | Methods for preparing 2-methoxyisobutylisonitrile and tetrakis(2-methoxyisobutylisonitrile)copper(I) tetrafluoroborate | Draximage Limited (IE) | 2009-07-21 | — | — | US | disclosed |
| WO-2008053285-A1 | METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE | Draximage Limited (IE) | 2008-05-08 | — | — | WO | disclosed |
| US-20080102028-A1 | METHODS FOR PREPARING 2-METHOXYISOBUTYLISONITRILE AND TETRAKIS(2-METHOXYISOBUTYLISONITRILE)COPPER(I) TETRAFLUOROBORATE | DRAXIS SPECIALTY PHARMACEUTICALS INC. (CA) | 2008-05-01 | — | — | US | disclosed |
| EP-0838514-B1 | Drilling fluid additive and method for inhibiting hydration | MI LLC (US) | 2003-11-12 | — | — | EP | disclosed |
| US-5908814-A | REACTION PRODUCT OF TERTIARY AMINE AND ALKYL HALIDE | M-I L.L.C. (US) | 1999-06-01 | — | — | US | disclosed |
| EP-0634468-B1 | Drilling fluid additive and method for reducing the swelling of clay | MI LLC (US) | 1998-11-11 | — | — | EP | disclosed |
| EP-0838514-A1 | Drilling fluid additive and method for inhibiting hydration | M-I Drilling Fluids L.L.C. (US) | 1998-04-29 | — | — | EP | disclosed |
| US-5424284-A | Quaternized trihydroxyalkylamine is added to water base drilling fuid which are circulated throughout the well; improved rheology and pollution control | M-I DRILLING FLUIDS COMPANY (US) | 1995-06-13 | — | — | US | disclosed |
| EP-0634468-A1 | Drilling fluid additive and method for inhibiting hydration | M-I DRILLING FLUIDS COMPANY (US) | 1995-01-18 | — | — | EP | disclosed |