Hydrochloric Acid

Hydrochloric Acid

SCHEMBL654576

Cl.N[C@@H](CC(=O)O)Cc1ccccc1

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
PTGS1 known ✓ P23219 1/20 0.57
DPP4 known ✓ P27487 1/20 0.51
EPHX1 P07099 1/20 0.61
CPA1 P15085 2/20 0.58
CPB1 P15086 1/20 0.58
CPA3 P15088 1/20 0.58
CPB2 Q96IY4 1/20 0.58
ALPI P09923 1/20 0.57
PKM P14618 1/20 0.57
XIAP P98170 1/20 0.57
SLC7A5 Q01650 1/20 0.57
ANPEP P15144 2/20 0.53
SLC15A1 P46059 1/20 0.53
MMP2 P08253 3/20 0.53
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
SRR Q9GZT4 1/20 0.50
LTA4H P09960 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
Hydrochloric Acid SCHEMBL654577 1.00 EPHX1 (0.61) EPHX1CPA1CPB1CPA3CPB2
SCHEMBL287736 0.98 EPHX1 (0.64) EPHX1CPA1CPB1CPA3CPB2
SCHEMBL123055 0.98 EPHX1 (0.64) EPHX1CPA1CPB1CPA3CPB2
SCHEMBL197907 0.98 EPHX1 (0.64) EPHX1CPA1CPB1CPA3CPB2
Acetic Acid SCHEMBL6690172 0.92 ALPI (0.58) EPHX1CPA1CPB1CPA3CPB2
Trifluoroacetic Acid SCHEMBL1395876 0.89 EPHX1 (0.53) EPHX1CPA1CPB1CPA3CPB2
Trifluoroacetic Acid SCHEMBL6157790 0.89 EPHX1 (0.53) EPHX1CPA1CPB1CPA3CPB2
Hydrochloric Acid SCHEMBL1912599 0.89 SRR (0.55) EPHX1CPA1CPB1CPA3CPB2
SCHEMBL2032416 0.87 FFAR1 (0.55) EPHX1CPA1CPB1CPA3CPB2
SCHEMBL29556848 0.87 FFAR1 (0.55) EPHX1CPA1CPB1CPA3CPB2

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-20240117006-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2024-04-11 US disclosed
US-20220195017-A1 PATHOGEN BINDING METHODS AND COMPOSITIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-06-23 US disclosed
US-11021709-B2 Lin28/let-7 crystal structures, purification protocols, and molecular probes suitable for screening assays and therapeutics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-01 US disclosed
US-20200362350-A1 LIN28/LET-7 CRYSTAL STRUCTURES, PURIFICATION PROTOCOLS, AND MOLECULAR PROBES SUITABLE FOR SCREENING ASSAYS AND THERAPEUTICS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-11-19 US disclosed
US-10704049-B2 Lin28/let-7 crystal structures, purification protocols, and molecular probes suitable for screening assays and therapeutics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-07-07 US disclosed
US-20200031900-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-01-30 US disclosed
US-10273283-B2 Modified integrin polypeptides, modified integrin polypeptide dimers, and uses thereof THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2019-04-30 US disclosed
US-20190077850-A1 PATHOGEN BINDING METHODS AND COMPOSITIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2019-03-14 US disclosed
EP-2582715-B1 GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2018-11-28 EP disclosed
US-20180282730-A1 LIN28/LET-7 CRYSTAL STRUCTURES, PURIFICATION PROTOCOLS, AND MOLECULAR PROBES SUITABLE FOR SCREENING ASSAYS AND THERAPEUTICS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-10-04 US disclosed
US-8350027-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2013-01-08 US disclosed
US-20120259113-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-10-11 US disclosed
US-8119634-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2012-02-21 US disclosed
US-20110275634-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-11-10 US disclosed
US-7956054-B2 Dual-acting pyrazole antihypertensive agents THERAVANCE, INC. (US) 2011-06-07 US disclosed
US-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2011-01-13 US disclosed
US-7858348-B2 N-acetyl-(R,S)-beta-amino acid acylase gene AJINOMOTO CO., INC. (JP) 2010-12-28 US disclosed
EP-1882740-B1 N-acetyl-(R,S)-B-amino acid acylase gene AJINOMOTO KK (JP) 2010-04-14 EP disclosed
US-20080241895-A1 N-Acetyl-(R,S)-beta-Amino Acid Acylase Gene AJINOMOTO CO., INC. (JP) 2008-10-02 US disclosed
EP-1882740-A1 N-acetyl-(R,S)-B-amino acid acylase gene Ajinomoto Co., Ltd. (JP) 2008-01-30 EP 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120259113-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN PTGS1 1070/4885DPP4 39/4885EPHX1 1562/4885
US-20110009409-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN PTGS1 1070/4885DPP4 39/4885EPHX1 1562/4885
US-20240117006-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF ITGA2B, ITGB1, ITGA1 PTGS1 3990/4885DPP4 2788/4885EPHX1 2760/4885
US-10273283-B2 Modified integrin polypeptides, modified integrin polypeptide dimers, and uses thereof ITGA2B, ITGB1, ITGA1 PTGS1 3990/4885DPP4 2788/4885EPHX1 2760/4885
US-20080241895-A1 N-Acetyl-(R,S)-beta-Amino Acid Acylase Gene ACSL4, FASN, BLVRB PTGS1 3948/4885DPP4 1694/4885EPHX1 3502/4885
US-20200031900-A1 MODIFIED INTEGRIN POLYPEPTIDES, MODIFIED INTEGRIN POLYPEPTIDE DIMERS, AND USES THEREOF ITGA2B, ITGB1, ITGA1 PTGS1 3990/4885DPP4 2788/4885EPHX1 2760/4885
US-20110275634-A1 DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 PTGS1 980/4885DPP4 42/4885EPHX1 1514/4885

“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.