Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1613827

CCCCCCCOC(=O)CCC(=O)CN.Cl

nearest known ligand 0.97

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
HTR2C known ✓ P28335 1/20 0.97
NAAA Q02083 1/20 0.56
DGKA P23743 1/20 0.56
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
FAAH O00519 2/20 0.51
RAD52 P43351 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DNM1 Q05193 1/20 0.47
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
CNR1 P21554 1/20 0.44
TSHR P16473 2/20 0.43
PAM P19021 2/20 0.43

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 SCHEMBL1613756 1.00 HTR2C (0.97) HTR2CNAAADGKAPRSS1PRSS2
Hexaminolevulinate SCHEMBL937621 1.00 HTR2C (0.97) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL3819717 0.98 HTR2C (1.00) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL3822217 0.98 HTR2C (1.00) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL3822297 0.98 HTR2C (1.00) HTR2CNAAADGKAPRSS1PRSS2
Hexaminolevulinate SCHEMBL1070663 0.98 HTR2C (1.00) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL3824698 0.98 HTR2C (1.00) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL3829077 0.98 HTR2C (1.00) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL987595 0.96 HTR2C (0.96) HTR2CNAAADGKAPRSS1PRSS2
SCHEMBL987461 0.91 HTR2C (0.86) HTR2CNAAADGKAPRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410172-B2 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy PHOTOCURE ASA (NO) 2013-04-02 US disclosed
US-20110086915-A1 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy GIERSKCKY KARL E 2011-04-14 US disclosed
US-7850008-B2 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy PHOTOCURE ASA (NO) 2010-12-14 US disclosed
US-20090280061-A1 ESTERS OF 5-AMINOLEVULINIC ACID AS PHOTOSENSITIZING AGENTS IN PHOTOCHEMOTHERAPY GIERSKCKY KARL E 2009-11-12 US disclosed
US-7530461-B2 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy PHOTOCURE ASA (NO) 2009-05-12 US disclosed
US-7335684-B2 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy PHOTOCURE ASA (NO) 2008-02-26 US disclosed
US-7247655-B2 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy PHOTOCURE ASA (NO) 2007-07-24 US disclosed
US-20060084701-A1 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy GIERSKEKY KARL E 2006-04-20 US disclosed
US-20050031541-A1 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy PHOTOCURE ASA (NO) 2005-02-10 US disclosed
US-20030203880-A1 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy GIERSKCKY KARL E (NO) 2003-10-30 US disclosed
US-6492420-B2 SUCH AS METHYL ESTER; MORE EFFECTIVE THAN FREE FORM AT SLOWING TUMOR GROWTH PHOTOCURE AS (NO) 2002-12-10 US disclosed
US-20020183386-A1 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy GIERSKCKY KARL E (NO) 2002-12-05 US disclosed
US-20010051743-A1 ESTERS OF 5-AMINOLEVULINIC ACID AS PHOTOSENSITIZING AGENTS IN PHOTOCHEMOTHERAPY GIERSKCKY KARL E (NO) 2001-12-13 US disclosed
EP-0820432-B1 ESTERS OF 5-AMINOLEVULINIC ACID AS PHOTOSENSITIZING AGENTS IN PHOTOCHEMOTHERAPY PHOTOCURE ASA (NO) 2001-06-13 EP disclosed
EP-0820432-A1 ESTERS OF 5-AMINOLEVULINIC ACID AS PHOTOSENSITIZING AGENTS IN PHOTOCHEMOTHERAPY Photocure AS (NO) 1998-01-28 EP disclosed
WO-1996028412-A1 ESTERS OF 5-AMINOLEVULINIC ACID AS PHOTOSENSITIZING AGENTS IN PHOTOCHEMOTHERAPY PHOTOCURE AS (NO) 1996-09-19 WO disclosed