Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4158426

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

nearest known ligand 0.52

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 0.50
PTGS2 known ✓ P35354 1/20 0.39
PDE4D known ✓ Q08499 1/20 0.39
PTGS1 known ✓ P23219 1/20 0.33
CYP19A1 known ✓ P11511 1/20 0.31
PPARG known ✓ P37231 1/20 0.31
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GABRR1 P24046 1/20 0.36
MAPT P10636 2/20 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
SCHEMBL9911950 0.98 HTR2C (0.51) KDM4ELMNAHTR2CNR1I2PGR
Hydrochloric Acid SCHEMBL4143640 0.87 HTR2C (0.51) KDM4ELMNAHTR2CNR1I2PGR
SCHEMBL9911954 0.85 HTR2C (0.53) KDM4ELMNAHTR2CNR1I2PGR
SCHEMBL9911957 0.84 KDM4E (0.52) KDM4ELMNAHTR2CCYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL4157060 0.83 HTR2C (0.55) KDM4ELMNAHTR2CNR1I2PGR
SCHEMBL9911952 0.81 HTR2C (0.57) KDM4ELMNAHTR2CNR1I2PGR
SCHEMBL22832709 0.80 ADORA3 (0.53) KDM4ELMNANR1I2PGRADORA3
SCHEMBL22832710 0.80 ADORA3 (0.53) KDM4ELMNANR1I2PGRADORA3
Hydrochloric Acid SCHEMBL15562562 0.79 LMNA (0.47) KDM4ELMNAHTR2CTSHRTDP1
SCHEMBL11723671 0.78 ALDH1A1 (0.47) KDM4ELMNANR1I2PGRADORA3

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.