Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4480459

COc1ccc(COC(=O)CCC(=O)CN)cc1.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
MAOB known ✓ P27338 1/20 0.46
MMP1 known ✓ P03956 1/20 0.43
GAA known ✓ P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
F2RL1 P55085 1/20 0.46
MMP9 P14780 2/20 0.45
MMP2 P08253 1/20 0.45
MMP12 P39900 1/20 0.45
FFAR1 O14842 1/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 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
SCHEMBL27790577 0.98 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KDM4ELMNA
SCHEMBL3732372 0.87 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1LMNAIDO1
Hydrochloric Acid SCHEMBL31308659 0.87 KMT2A (0.45) ALDH1A1MAPK1L3MBTL1KDM4ELMNA
Hydrochloric Acid SCHEMBL9312987 0.86 IDO1 (0.55) ALDH1A1IDO1AGXTKMT2AMAOB
Hydrochloric Acid SCHEMBL1177366 0.85 MAPT (0.52) ALDH1A1KDM4ELMNAAGXTKMT2A
SCHEMBL8830893 0.84 ALDH1A1 (0.54) ALDH1A1IDO1AGXTKMT2AMAOB
SCHEMBL28812413 0.84 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL3398540 0.83 MAPT (0.53) ALDH1A1KDM4ELMNAAGXTKMT2A
SCHEMBL30984667 0.83 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
Hydrochloric Acid SCHEMBL4474551 0.82 MEN1 (0.55) ALDH1A1L3MBTL1KDM4ELMNAIDO1

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 8 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
EP-1313695-B1 ESTERS OF 5-AMINOLEVULINIC ACID AS PHOTOSENSITIZING AGENTS IN PHOTOCHEMOTHERAPY PHOTOCURE ASA (NO) 2006-12-27 EP 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
EP-1313695-A1 ESTERS OF 5-AMINOLEVULINIC ACID AS PHOTOSENSITIZING AGENTS IN PHOTOCHEMOTHERAPY Photocure ASA (NO) 2003-05-28 EP disclosed
WO-2002010120-A1 ESTERS OF 5-AMINOLEVULINIC ACID AS PHOTOSENSITIZING AGENTS IN PHOTOCHEMOTHERAPY PHOTOCURE ASA (NO) 2002-02-07 WO disclosed