Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4493294

Cl.NCC(=O)CCC(=O)OCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

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
GAA known ✓ P10253 1/20 0.48
AGTR1 known ✓ P30556 1/20 0.47
MAOB known ✓ P27338 2/20 0.47
MAOA known ✓ P21397 1/20 0.47
ALDH1A1 P00352 3/20 0.57
RAB9A P51151 1/20 0.55
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RXFP1 Q9HBX9 1/20 0.49
HTT P42858 2/20 0.48
MAPT P10636 3/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 3/20 0.47
POLB P06746 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL27790573 0.99 ALDH1A1 (0.58) ALDH1A1RAB9AKMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL4495815 0.84 RAB9A (0.57) ALDH1A1RAB9AKMT2AMEN1CYP1A2
SCHEMBL27769196 0.83 RAB9A (0.58) ALDH1A1RAB9AKMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL4494442 0.80 IDO1 (0.51) RAB9ACYP1A2CYP2D6CYP2C9CYP2C19
Nitric Acid SCHEMBL1177447 0.80 ALDH1A1 (0.49) ALDH1A1RAB9AKMT2AMEN1HTT
Hydrochloric Acid SCHEMBL4484016 0.79 IDO1 (0.50) RAB9AKMT2AMEN1KDM4EMAOB
Hydrochloric Acid SCHEMBL27574630 0.79 KDM4E (0.39) ALDH1A1MAPTKDM4EMAOBLMNA
SCHEMBL31081305 0.79 RAB9A (0.62) ALDH1A1RAB9AKMT2AMEN1CYP1A2
SCHEMBL28145792 0.79 RAB9A (0.62) ALDH1A1RAB9AKMT2AMEN1RXFP1
SCHEMBL3276281 0.78 RAB9A (0.57) ALDH1A1RAB9AKMT2AMEN1RXFP1

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
US-7563819-B1 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy PHOTOCURE ASA (NO) 2009-07-21 US disclosed
CN-1318388-C Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy PHOTOCURE A S (NO) 2007-05-30 CN disclosed
US-7217736-B2 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy PHOTOCURE ASA (NO) 2007-05-15 US disclosed
US-20040106679-A1 Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy PHOTOCURE ASA (NO) 2004-06-03 US disclosed
CN-1460099-A Esters of 5-aminolevulinic acid as photosensitizing agents in photochemotherapy PHOTOCURE AS (NO) 2003-12-03 CN disclosed