Hydrochloric Acid

Hydrochloric Acid

SCHEMBL852606

COC(=O)C(N)Cc1c[nH]cn1.Cl

nearest known ligand 0.38

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 4)

geneUniProtsupporting neighboursconfidence
PTGS2 known ✓ P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.38
LTA4H P09960 2/20 0.31
KIF11 P52732 1/20 0.31

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 SCHEMBL940526 1.00 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL9081237 1.00 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL1375315 1.00 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL4389612 1.00 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
Hydrochloric Acid SCHEMBL703118 1.00 ALDH1A1 (0.38) ALDH1A1PTGS2LTA4HKIF11
SCHEMBL3846863 0.98 ALDH1A1 (0.36) ALDH1A1PTGS2LTA4HKIF11
SCHEMBL262238 0.98 ALDH1A1 (0.36) ALDH1A1PTGS2LTA4HKIF11
SCHEMBL833709 0.98 ALDH1A1 (0.36) ALDH1A1PTGS2LTA4HKIF11
Selenium SCHEMBL30525936 0.97 ALDH1A1 (0.35) ALDH1A1PTGS2LTA4HKIF11
Histidine SCHEMBL27511748 0.94 SLC7A5 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527399-B Ginsenoside CK derivative and application thereof in preparation of antitumor drugs 陕西巨子生物技术有限公司 2023-01-31 CN claimed
CN-113527399-A Ginsenoside CK derivative and application thereof in preparation of antitumor drugs 陕西巨子生物技术有限公司 2021-10-22 CN claimed
CN-106674230-B The synthetic method of pro-his cyclic dipeptide 陕西慧康生物科技有限责任公司 2019-07-02 CN claimed
CN-108440653-A A kind of synthetic method of Buserelin compound 海南医学院 2018-08-24 CN claimed
CN-105534957-B A kind of core-shell structure nanometer particle of reduction/enzyme/pH multiple responses drug release 暨南大学 2018-05-08 CN claimed
CN-105085404-B The pyrene compound of histidine methylester modification and its synthetic method and application 华南师范大学 2017-08-08 CN claimed
CN-105085404-A Pyrene compound modified with dl-histidine monohydrochloride and synthetizing method and application thereof UNIV SOUTH CHINA NORMAL 2015-11-25 CN claimed
CN-102671637-B Biomimetic specific immune adsorption material with PAMAM (Polyamidoamine) as spacer arm, and preparation method and application thereof UNIV SOUTH CHINA TECH 2013-10-30 CN claimed
CN-102671637-A Biomimetic specific immune adsorption material with PAMAM (Polyamidoamine) as spacer arm, and preparation method and application thereof UNIV SOUTH CHINA TECH 2012-09-19 CN claimed
CN-101891686-A Synthesizing method of N-beta-alanyl-(tau-methyl) histidine GL BIOCHEM SHANGHAI LTD 2010-11-24 CN claimed
CN-1500804-A Preparing method for thread group cyclic dipeptide 清华大学 2004-06-02 CN claimed
EP-0291626-A2 Process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-11-23 EP claimed
US-4570017-A Preparation of optically-active (mixed) anhydrides and acids SHELL OIL COMPANY (US) 1986-02-11 US claimed
US-4560515-A NON-SYMMETRICAL KETENE REACTED WITH A-HYDROXYNITRILE; TERTUARY AMINE CATALYST SHELL OIL COMPANY (US) 1985-12-24 US claimed
US-4529810-A Preparation of optically-active alpha-substituted carboxylic esters and acids SHELL OIL COMPANY (US) 1985-07-16 US claimed
EP-0116914-A1 Preparation of optically-active alpha-substituted carboxylic esters and acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-29 EP claimed
EP-0109681-A2 process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-30 EP claimed
US-12011482-B2 Chlorin derivatives or pharmaceutically acceptable salts thereof, preparation method and use thereof, and combination thereof with an ultrasonic medical system GUANGZHOU EEC BIOTECH DEVELOPMENT CO., LTD. (CN) 2024-06-18 US disclosed
EP-0116914-A1 Preparation of optically-active alpha-substituted carboxylic esters and acids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-29 EP disclosed
EP-0109681-A2 process for the preparation of optically-active cyanomethyl esters E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-30 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 (1 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-12011482-B2 Chlorin derivatives or pharmaceutically acceptable salts thereof, preparation method and use thereof, and combination thereof with an ultrasonic medical system STAT6, JAK3, JAK1 PTGS2 3846/4885ALDH1A1 2578/4885LTA4H 4256/4885

“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.