Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4148034

CC=CCC(CC(=O)O)C(=O)CN.Cl

nearest known ligand 0.46

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 15)

geneUniProtsupporting neighboursconfidence
CACNA2D1 known ✓ P54289 2/20 0.32
CACNB3 known ✓ P54284 1/20 0.32
CACNA1C known ✓ Q13936 1/20 0.32
ADRA1A known ✓ P35348 1/20 0.32
HTR2B known ✓ P41595 1/20 0.32
CACNA2D2 known ✓ Q9NY47 1/20 0.32
GRIK1 P39086 4/20 0.46
GRIK2 Q13002 4/20 0.46
FOLH1 Q04609 1/20 0.34
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32
PGR P06401 1/20 0.32
GLRA1 P23415 1/20 0.31
SLC6A9 P48067 1/20 0.31
OR51E2 Q9H255 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
SCHEMBL13351667 0.79 GRIK1 (0.58) GRIK1GRIK2FOLH1ADRA1A
SCHEMBL12501647 0.79 GRIK1 (0.58) GRIK1GRIK2FOLH1ADRA1A
SCHEMBL40728 0.79 GRIK1 (0.58) GRIK1GRIK2FOLH1ADRA1A
SCHEMBL23241895 0.71 GRIK1 (0.48) GRIK1GRIK2GABRR1LMNA
SCHEMBL9770925 0.71 GRIK1 (0.48) GRIK1GRIK2GABRR1LMNA
SCHEMBL23241896 0.71 GRIK1 (0.48) GRIK1GRIK2GABRR1LMNA
SCHEMBL6329384 0.69 SLC22A6 (0.52) GRIK1GRIK2GABRR1LMNA
SCHEMBL6329381 0.69 SLC22A6 (0.52) GRIK1GRIK2GABRR1LMNA
SCHEMBL21986677 0.69 GRIK1 (0.41) GRIK1GRIK2FOLH1CACNA2D1CACNB3
SCHEMBL11360653 0.69 GABRR1 (0.39) FOLH1GABRR1LMNACACNA2D1CACNB3

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-2032526-B1 UNSATURATED ALKYL ESTERS OF 5-AMINOLEVULINIC ACID, THEIR PREPARATION AND THEIR USE UNIV NAT CHONNAM IND FOUND (KR) 2012-10-10 EP disclosed
US-8198325-B2 Unsaturated alkyl esters of 5-aminolevulinic acid, their preparation and their use INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2012-06-12 US disclosed
US-20090176881-A1 Unsaturated Alkyl Esters of 5-Aminolevulinic Acid, their Preparation and their Use INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-07-09 US disclosed
EP-2032526-A1 UNSATURATED ALKYL ESTERS OF 5-AMINOLEVULINIC ACID, THEIR PREPARATION AND THEIR USE Industry Foundation of Chonnam National University (KR) 2009-03-11 EP disclosed
WO-2008002087-A1 UNSATURATED ALKYL ESTERS OF 5-AMINOLEVULINIC ACID, THEIR PREPARATION AND THEIR USE INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2008-01-03 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 (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-20090176881-A1 Unsaturated Alkyl Esters of 5-Aminolevulinic Acid, their Preparation and their Use ALAD, ALOX5, SLC7A1 CACNA2D1 2348/4885CACNB3 1980/4885CACNA1C 1633/4885

“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.