Hydrochloric Acid

Hydrochloric Acid

SCHEMBL19744043

C[n+]1cc[nH]c1CCCNc1ccc(N)cc1.Cl.Cl.[Cl-]

nearest known ligand 0.33

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 7)

geneUniProtsupporting neighboursconfidence
MAOA known ✓ P21397 1/20 0.31
MAOB known ✓ P27338 1/20 0.31
APP P05067 1/20 0.33
PRSS1 P07477 5/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32

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 SCHEMBL6382842 0.81 HDAC6 (0.34) CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4956812 0.71 PRSS1 (0.55) APPPRSS1CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL11700281 0.71 PRSS1 (0.55) APPPRSS1CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL4955215 0.71 PRSS1 (0.55) APPPRSS1CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL193045 0.70 HRH3 (0.33)
SCHEMBL6572107 0.70 TERT (0.47) APPMAOAMAOB
Hydrochloric Acid SCHEMBL4953031 0.69 PRSS1 (0.57) APPPRSS1CYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL4951449 0.69 PRSS1 (0.57) APPPRSS1CYP1A2CYP3A4CYP2C19
SCHEMBL2024986 0.69 MAPT (0.56) APPPRSS1CYP1A2CYP3A4CYP2C19
SCHEMBL34107 0.69 PRSS1 (0.54) APPPRSS1CYP1A2CYP3A4CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475278-B1 (DIS)SYMMETRIC AZOMETHINE-TYPE DIRECT DYE COMPRISING AT LEAST ONE PYRAZOLOPYRIDINE UNIT, PROCESS FOR DYEING KERATIN FIBERS USING THIS DYE OREAL (FR) 2021-12-22 EP disclosed
US-10731038-B2 (Dis)symmetric azomethine-type direct dye comprising at least one pyrazolopyridine unit, process for dyeing keratin fibers using this dye L'OREAL (FR) 2020-08-04 US disclosed
US-20190309170-A1 (DIS)SYMMETRIC AZOMETHINE-TYPE DIRECT DYE COMPRISING AT LEAST ONE PYRAZOLOPYRIDINE UNIT, PROCESS FOR DYEING KERATIN FIBERS USING THIS DYE L'OREAL (FR) 2019-10-10 US disclosed
EP-3475278-A1 (DIS)SYMMETRIC AZOMETHINE-TYPE DIRECT DYE COMPRISING AT LEAST ONE PYRAZOLOPYRIDINE UNIT, PROCESS FOR DYEING KERATIN FIBERS USING THIS DYE L'OREAL (FR) 2019-05-01 EP disclosed
WO-2017220670-A1 (DIS)SYMMETRIC AZOMETHINE-TYPE DIRECT DYE COMPRISING AT LEAST ONE PYRAZOLOPYRIDINE UNIT, PROCESS FOR DYEING KERATIN FIBERS USING THIS DYE L'OREAL (FR) 2017-12-28 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 (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-20190309170-A1 (DIS)SYMMETRIC AZOMETHINE-TYPE DIRECT DYE COMPRISING AT LEAST ONE PYRAZOLOPYRIDINE UNIT, PROCESS FOR DYEING KERATIN FIBERS USING THIS DYE KRT18, DSP, DSG1 MAOA 1913/4885MAOB 1778/4885APP 2372/4885
US-10731038-B2 (Dis)symmetric azomethine-type direct dye comprising at least one pyrazolopyridine unit, process for dyeing keratin fibers using this dye KRT18, DSP, DSG1 MAOA 1913/4885MAOB 1778/4885APP 2372/4885

“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.