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 | |
|---|---|---|---|---|
| SCHEMBL3730646 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL560373 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28469782 | 0.77 | — | — | |
| SCHEMBL301679 | 0.76 | — | — | |
| SCHEMBL9725035 | 0.74 | TRPA1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL756845 | 0.74 | CYP1A2 (0.31) | — | |
| SCHEMBL6668508 | 0.71 | — | — | |
| SCHEMBL356196 | 0.71 | CYP1A2 (0.32) | — | |
| SCHEMBL5932315 | 0.69 | FDPS (0.31) | — | |
| SCHEMBL7177137 | 0.68 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6423834-B1 | CONDENSATION WITH THIOHYDROXAMIC ACID; DECARBOXYLATION, DEBLOCKING | THE SCRIPPS RESEARCH INSTITUTE | 2002-07-23 | — | — | US | disclosed |
| EP-1135166-A1 | HAPTEN-CARRIER CONJUGATES FOR TREATING AND PREVENTING NICOTINE ADDICTION | NABI (US) | 2001-09-26 | — | — | EP | disclosed |
| US-6080563-A | RADICAL-MEDIATED DECARBOXYLATION OF PERACETYLATED N-ACETYLNEURAMINIC ACID BY MIXING WITH 1.0 EQUIVALENT OF ETHYL(DIETHYLAMINO)PROPYLCARBODIIMIDE HYDROCHLORIDE IN PRESENCE OF EXCESS OF THIOHYDROXAMATE | THE SCRIPPS RESEARCH INSTITUTE (US) | 2000-06-27 | — | — | US | disclosed |
| WO-2000032239-A1 | HAPTEN-CARRIER CONJUGATES FOR TREATING AND PREVENTING NICOTINE ADDICTION | NABI (US) | 2000-06-08 | — | — | WO | disclosed |
| EP-0674706-B1 | KDO ALDOLASE AND CONDENSATION REACTIONS EMPLOYED THEREWITH | SCRIPPS RESEARCH INST (US) | 1999-06-09 | — | — | EP | disclosed |
| US-5869316-A | CULTURE MEDIUM USING 3-DEOXY-D-MANNO-2-OCTULOSONIC ACID AS CARBON SOURCE TO PRODUCE ALDOLASE HAVING BROAD SUBSTRATE SPECIFITY FOR REVERSE ALDOL CONDENSATION REACTION | THE SCRIPPS RESEARCH INSTITUTE (US) | 1999-02-09 | — | — | US | disclosed |
| EP-0832275-A4 | METHOD FOR SYNTHESIZING 2-KETOALDONIC ACIDS | SCRIPPS RESEARCH INST (US) | 1998-11-18 | — | — | EP | disclosed |
| US-5759825-A | BIOSYNTHESIS USING PYRUVATE, ALDOSE, AND ALDOLASE | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-06-02 | — | — | US | disclosed |
| EP-0832275-A1 | METHOD FOR SYNTHESIZING 2-KETOALDONIC ACIDS | The Scripps Research Institute (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996040969-A1 | METHOD FOR SYNTHESIZING 2-KETOALDONIC ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1996-12-19 | — | — | WO | disclosed |
| US-5585261-A | CONDENSATION OF AN ALDOSE WITH PYRUVIC ACID TO GIVE2-KETO-3-DEOXY-ONIC ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1996-12-17 | — | — | US | disclosed |
| EP-0674706-A1 | KDO ALDOLASE AND CONDENSATION REACTIONS EMPLOYED THEREWITH | THE SCRIPPS RESEARCH INSTITUTE (US) | 1995-10-04 | — | — | EP | disclosed |
| US-5358859-A | From d-arabinose and pyruvate | THE SCRIPPS RESEARCH INSTITUTE (US) | 1994-10-25 | — | — | US | disclosed |
| WO-1994014954-A2 | KDO ALDOLASE AND CONDENSATION REACTIONS EMPLOYED THEREWITH | THE SCRIPPS RESEARCH INSTITUTE (US) | 1994-07-07 | — | — | WO | disclosed |