Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3065003

Cl.N=C(N)NCc1ccccc1

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

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.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.55
GRIN2D known ✓ O15399 2/20 0.53
GRIN3B known ✓ O60391 2/20 0.53
GRIN1 known ✓ Q05586 2/20 0.53
GRIN2A known ✓ Q12879 2/20 0.53
GRIN2B known ✓ Q13224 2/20 0.53
GRIN2C known ✓ Q14957 2/20 0.53
GRIN3A known ✓ Q8TCU5 2/20 0.53
SIGMAR1 known ✓ Q99720 2/20 0.53
GAA known ✓ P10253 3/20 0.52
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA9 Q16790 2/20 0.55
ALOX12 P18054 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
MAPT P10636 4/20 0.52
CYP3A4 P08684 2/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL45768 0.98 CA12 (0.57) CA12CA1CA2CA9ALOX12
Fluoride SCHEMBL27718975 0.96 CA12 (0.55) CA12CA1CA2CA9ALOX12
Iodide SCHEMBL28867266 0.96 CA12 (0.55) CA12CA1CA2CA9ALOX12
Bicarbonate SCHEMBL27358699 0.92 CYP2D6 (0.56) CA12CA1CA2CA9ALOX12
Hydrochloric Acid SCHEMBL28486835 0.88 ALDH1A1 (0.53) CA1CA2ALOX12ALDH1A1MAPT
Sulfuric Acid SCHEMBL11336623 0.88 GAA (0.49) CA12CA1CA2CA9ALOX12
Acetic Acid SCHEMBL28068598 0.88 CYP2C9 (0.53) CA12CA1CA2CA9ALDH1A1
Sulfuric Acid SCHEMBL4014385 0.88 GAA (0.49) CA12CA1CA2CA9ALOX12
Hydrochloric Acid SCHEMBL5140137 0.87 IDO1 (0.43) CA12CA1CA2CA9ALOX12
SCHEMBL3672272 0.86 CYP2C9 (0.48) CA12CA1CA2CA9ALOX12

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160296449-A1 Semi-Permanent Hair Straightening Composition And Method LUBRIZOL ADVANCED MATERIALS, INC. 2016-10-13 US claimed
EP-3065831-A1 SEMI-PERMANENT HAIR STRAIGHTENING COMPOSITION AND METHOD Lubrizol Advanced Materials, Inc. (US) 2016-09-14 EP claimed
WO-2015069823-A1 SEMI-PERMANENT HAIR STRAIGHTENING COMPOSITION AND METHOD LUBRIZOL ADVANCED MATERIALS, INC. (US) 2015-05-14 WO claimed
WO-2025037034-A1 THIENOTHIADIAZINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2025-02-20 WO disclosed
US-20240174782-A1 PREPARATIONS OF META-IODOBENZYLGUANIDINE AND PRECURSORS THEREOF MOLECULAR INSIGHT PHARM INC (US) 2024-05-30 US disclosed
US-11840592-B2 Preparations of meta-iodobenzylguanidine and precursors thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-20230008878-A1 PREPARATIONS OF META-IODOBENZYLGUANIDINE AND PRECURSORS THEREOF CITIZENS BANK, N.A., AS COLLATERAL AGENT, NATIONAL BANKING ASSOCIATION 2023-01-12 US disclosed
US-11279784-B2 Preparations of meta-iodobenzylguanidine and precursors thereof MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2022-03-22 US disclosed
EP-3888694-A1 PREPARATIONS OF META-IODOBENZYLGUANIDINE AND PRECURSORS THEREOF Molecular Insight Pharmaceuticals, Inc. (US) 2021-10-06 EP disclosed
EP-3268052-B1 PREPARATIONS OF META-IODOBENZYLGUANIDINE AND PRECURSORS THEREOF MOLECULAR INSIGHT PHARM INC (US) 2021-06-23 EP disclosed
WO-2020218835-A1 NOVEL POLYIMIDE-TYPE POLYMER AND PREPARATION METHOD THEREFOR 서울대학교 산학협력단 2020-10-29 WO disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
US-5945455-A Amine and amidine containing compounds as weight reducing agents UNIVERSITY OF STRATHCLYDE (GB) 1999-08-31 US disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO disclosed
WO-1999018053-A1 PREPARATION OF RADIOLABELLED HALOAROMATICS VIA POLYMER-BOUND INTERMEDIATES THE UNIVERSITY OF WESTERN ONTARIO (CA) 1999-04-15 WO disclosed
CN-1175953-A Novel dipeptide amidines as thrombin inhibitors BASF AG (DE) 1998-03-11 CN disclosed
EP-0825855-A1 AGENTS FOR REDUCING WEIGHT University of Strathclyde (GB) 1998-03-04 EP disclosed
US-5602277-A Substituted benzene derivatives useful as neuraminidase inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 1997-02-11 US disclosed
WO-1996036325-A1 AGENTS FOR REDUCING WEIGHT UNIVERSITY OF STRATHCLYDE (GB) 1996-11-21 WO disclosed
WO-1996030329-A1 SUBSTITUTED BENZENE DERIVATIVES USEFUL AS NEURAMINIDASE INHIBITORS BIOCRYST PHARMACEUTICALS, INCORPORATED (US) 1996-10-03 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 (5 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230008878-A1 PREPARATIONS OF META-IODOBENZYLGUANIDINE AND PRECURSORS THEREOF NISCH, TPO, UGT1A9 CA2 2347/4885GRIN2D 3976/4885GRIN3B 3051/4885
US-11279784-B2 Preparations of meta-iodobenzylguanidine and precursors thereof NISCH, TPO, UGT1A9 CA2 2347/4885GRIN2D 3976/4885GRIN3B 3051/4885
US-20160296449-A1 Semi-Permanent Hair Straightening Composition And Method KRT18, PRKDC, DNMT1 CA2 3006/4885GRIN2D 1040/4885GRIN3B 590/4885
US-20240174782-A1 PREPARATIONS OF META-IODOBENZYLGUANIDINE AND PRECURSORS THEREOF NISCH, TPO, UGT1A9 CA2 2347/4885GRIN2D 3976/4885GRIN3B 3051/4885
US-11840592-B2 Preparations of meta-iodobenzylguanidine and precursors thereof NISCH, TPO, UGT1A9 CA2 2347/4885GRIN2D 3976/4885GRIN3B 3051/4885

“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.