Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4157060

CC/C=C\CCOC(=O)CCC(=O)CN.Cl

nearest known ligand 0.55

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 20)

geneUniProtsupporting neighboursconfidence
HTR2C known ✓ P28335 1/20 0.55
PTGS2 known ✓ P35354 2/20 0.44
PDE4D known ✓ Q08499 1/20 0.44
CYP19A1 known ✓ P11511 3/20 0.36
PPARG known ✓ P37231 3/20 0.36
ADRA2A known ✓ P08913 1/20 0.35
ADRA1A known ✓ P35348 1/20 0.35
PTGS1 known ✓ P23219 2/20 0.34
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
ADORA3 P0DMS8 2/20 0.44
NR1I2 O75469 2/20 0.44
PGR P06401 1/20 0.44
ALDH1A1 P00352 6/20 0.42
MAPT P10636 5/20 0.42
THRB P10828 1/20 0.42
CNR1 P21554 1/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL9911952 0.98 HTR2C (0.57) HTR2CKDM4ELMNAADORA3NR1I2
SCHEMBL16568217 0.86 ADORA3 (0.55) KDM4ELMNAADORA3NR1I2PTGS2
SCHEMBL22832722 0.86 ADORA3 (0.55) KDM4ELMNAADORA3NR1I2PTGS2
SCHEMBL22832723 0.86 ADORA3 (0.55) KDM4ELMNAADORA3NR1I2PTGS2
Hydrochloric Acid SCHEMBL4158426 0.83 KDM4E (0.52) HTR2CKDM4ELMNAADORA3NR1I2
SCHEMBL9911950 0.81 HTR2C (0.51) HTR2CKDM4ELMNAADORA3NR1I2
SCHEMBL22390233 0.80 ADORA3 (0.49) KDM4ELMNAADORA3NR1I2PTGS2
SCHEMBL5728092 0.80 ALDH1A1 (0.53) KDM4ELMNAADORA3NR1I2PTGS2
SCHEMBL5728091 0.80 ALDH1A1 (0.53) KDM4ELMNAADORA3NR1I2PTGS2
SCHEMBL5727894 0.79 DGKA (0.51) HTR2CADORA3NR1I2PTGS2PGR

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 HTR2C 1116/4885PTGS2 356/4885PDE4D 3839/4885

“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.