Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1805908

CN1CCC(C2CCCC2(C(=O)O)c2ccccc2)CC1.Cl

nearest known ligand 0.47

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 19)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 2/20 0.42
OPRM1 known ✓ P35372 2/20 0.40
CHRM3 known ✓ P20309 4/20 0.39
SLC6A4 known ✓ P31645 1/20 0.39
ADRA1A known ✓ P35348 1/20 0.39
OPRD1 known ✓ P41143 1/20 0.39
OPRK1 known ✓ P41145 1/20 0.39
KCNH2 known ✓ Q12809 1/20 0.39
CHRM2 known ✓ P08172 1/20 0.38
CHRM4 known ✓ P08173 1/20 0.37
CHRM5 known ✓ P08912 1/20 0.37
CNR2 P34972 6/20 0.47
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
SLC22A1 O15245 1/20 0.39
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9825525 0.80 AKR1C1 (0.46) CNR2KMT2AMEN1CHRM3SLC6A4
SCHEMBL18204312 0.75 CHRM1 (0.43) CNR2CHRM1KMT2AMEN1OPRM1
SCHEMBL9330568 0.74 AKR1C1 (0.47)
SCHEMBL6660824 0.72 SLC6A2 (0.43) NPSR1SLC6A4
SCHEMBL28268515 0.69 MAOB (0.49) SLC6A4ALDH1A1
SCHEMBL9330906 0.69 AKR1C1 (0.50) CHRM3SLC6A4
SCHEMBL3556347 0.69 MAOB (0.44) SLC6A4
SCHEMBL28838197 0.68 AKR1C1 (0.45) OPRM1NPSR1SLC6A4
Hydrochloric Acid SCHEMBL3396780 0.67 OPRM1 (0.66) CHRM1KMT2AMEN1OPRM1CHRM3
SCHEMBL12020309 0.67 AKR1C1 (0.46) OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947827-B2 Centrifugal partition (or countercurrent) chromatography in dim light to obtain pure chlorophyll from algae, alfalfa or spinach; treatment of poisoning from neurotoxin, toxic metal, metabolic toxin, vesicating agent, carcinogen, polycyclic aromatic hydrocarbons sarin, soman, sulfa mustard, or aflatoxin STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2011-05-24 US disclosed
US-20080139524-A1 Pharmaceutical formulation comprising a metaloporphyrin and method for its purification and use State of Oregon acting by and through the State Board of Higher Education on behalf of Oregon 2008-06-12 US disclosed
US-6114347-A Pharmaceutical formulation for the prophylaxis and pretreatment of a poisoning caused by organophosphorus cholinesterase inhibitors LTS LOHMANN THERAPIE-SYSTEME GMBH (DE) 2000-09-05 US disclosed
US-5939095-A AT LEAST ONE PARASYMPATHOMIMETICALLY ACTIVE SUBSTANCE AND AT LEAST ONE PARASYMPATHOLYTICALLY ACTIVE SUBSTANCE LTS LOHMANN THERAPIE-SYSTEME GMBH (DE) 1999-08-17 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 (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-20080139524-A1 Pharmaceutical formulation comprising a metaloporphyrin and method for its purification and use CTRB1, ACHE, CPB1 CHRM1 50/4885OPRM1 2126/4885CHRM3 101/4885

“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.