Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1436160

Cc1cccc(C(=N)N)c1.Cl

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 17)

geneUniProtsupporting neighboursconfidence
PARP1 known ✓ P09874 1/20 0.61
PRSS1 P07477 11/20 0.61
PRSS2 P07478 8/20 0.61
PRSS3 P35030 8/20 0.61
F2 P00734 2/20 0.61
PLG P00747 1/20 0.61
C1S P09871 3/20 0.58
BLM P54132 1/20 0.54
NOS1 P29475 1/20 0.53
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
F10 P00742 1/20 0.50
F12 P00748 1/20 0.50
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
PKM P14618 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 SCHEMBL28553423 1.00 PRSS1 (0.61) PRSS1PRSS2PRSS3F2PARP1
SCHEMBL2687704 0.98 PARP1 (0.63) PRSS1PRSS2PRSS3F2PARP1
Formic Acid SCHEMBL38652409 0.88 PARP1 (0.58) PRSS1PRSS2PRSS3F2PARP1
Sulfuric Acid SCHEMBL38652318 0.88 PARP1 (0.58) PRSS1PRSS2PRSS3F2PARP1
Acetic Acid SCHEMBL38652070 0.88 PARP1 (0.63) PRSS1PRSS2PRSS3F2PARP1
SCHEMBL17774314 0.86 PRSS1 (0.69) PRSS1PRSS2PRSS3F2PARP1
Hydrochloric Acid SCHEMBL28253026 0.84 PRSS1 (0.74) PRSS1PRSS2PRSS3F2PLG
Hydrochloric Acid SCHEMBL28555629 0.84 PRSS1 (0.74) PRSS1PRSS2PRSS3F2PLG
Trifluoroacetic Acid SCHEMBL38651965 0.82 PARP1 (0.56) PRSS1PRSS2PRSS3F2PARP1
SCHEMBL15547311 0.81 PRSS1 (0.70) PRSS1PRSS2PRSS3F2PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947854-A Preparation method of imidazo [2,1-a ] isoquinoline compound 赣南师范大学 2023-10-27 CN claimed
CN-114394957-A Preparation method of MET inhibitor terbacitinib hydrochloride 武汉九州钰民医药科技有限公司 2022-04-26 CN claimed
CN-116947854-A Preparation method of imidazo [2,1-a ] isoquinoline compound 赣南师范大学 2023-10-27 CN disclosed
CN-115023427-A Pyrazolotriazines 拜耳公司 2022-09-06 CN disclosed
CN-114394957-A Preparation method of MET inhibitor terbacitinib hydrochloride 武汉九州钰民医药科技有限公司 2022-04-26 CN disclosed
CN-114394957-A Preparation method of MET inhibitor terbacitinib hydrochloride 武汉九州钰民医药科技有限公司 2022-04-26 CN disclosed
CN-106674131-B A method of synthesis polysubstituted pyrimidine heterocyclic compound 华南理工大学 2019-08-20 CN disclosed
CN-106316885-B A kind of preparation method of 3- [5- (2- fluorophenyl) -1,2,4- oxadiazoles -3- base] benzoic acid 普济生物科技(台州)有限公司 2019-02-12 CN disclosed
CN-106674131-A Method for compounding polysubstituted pyrimidine heterocyclic compound 华南理工大学 2017-05-17 CN disclosed
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
EP-1406632-A2 SUBSTITUTED 3-ARYL-5-ARYL- 1,2,4]-OXADIAZOLES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-04-14 EP disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed
US-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-03-06 US disclosed
WO-2002100826-A2 SUBSTITUTED 3-ARYL-5-ARYL-[1,2,4]-OXADIAZOLES AND ANALOGS CYTOVIA, INC. (US) 2002-12-19 WO disclosed
US-4168964-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-09-25 US disclosed
US-3968213-A 4-HYDROXY-5-CARBOXY PYRIMIDINES PFIZER INC. (US) 1976-07-06 US disclosed
US-3957784-A ANTIALLERGY AGENTS PFIZER INC. (US) 1976-05-18 US disclosed
US-3940395-A CNS DEPRESSANT AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-24 US 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 (2 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-20030045546-A1 Substituted 3-aryl-5-aryl-[1,2,4]-oxadiazoles and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP1, API5 PARP1 143/4885PRSS1 502/4885PRSS2 2182/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 PARP1 1383/4885PRSS1 34/4885PRSS2 81/4885

“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.