Hydrochloric Acid

Hydrochloric Acid

SCHEMBL29576463

COCNCC(O)c1ccc(O)c(O)c1.Cl

nearest known ligand 0.64

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
▸ ADRB2 known ✓ P07550 10/20 0.64
▸ ADRB1 known ✓ P08588 6/20 0.61
▸ DRD2 known ✓ P14416 5/20 0.61
▸ DRD3 known ✓ P35462 4/20 0.61
▸ ADRB3 known ✓ P13945 4/20 0.61
▸ DRD1 known ✓ P21728 4/20 0.61
▸ ADRA1D known ✓ P25100 3/20 0.61
▸ ADRA1A known ✓ P35348 3/20 0.61
▸ ADRA1B known ✓ P35368 3/20 0.61
▸ ADRA2A known ✓ P08913 2/20 0.61
▸ ADRA2B known ✓ P18089 2/20 0.61
▸ ADRA2C known ✓ P18825 2/20 0.61
▸ PTGS2 known ✓ P35354 2/20 0.61
▸ GAA known ✓ P10253 3/20 0.60
▸ DRD4 known ✓ P21917 3/20 0.58
▸ PDE3A known ✓ Q14432 1/20 0.58
▸ SLC6A2 known ✓ P23975 1/20 0.51
▸ KDM4E B2RXH2 8/20 0.64
▸ BLM P54132 6/20 0.64
▸ PMP22 Q01453 3/20 0.64

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
SCHEMBL28189397 0.98 ADRB2 (0.63) ADRB2KDM4EBLMPMP22NPSR1
SCHEMBL28529308 0.83 ADRB2 (0.68) ADRB2KDM4EBLMPMP22NPSR1
Hydrochloric Acid SCHEMBL3216930 0.82 ADRB2 (0.70) ADRB2KDM4EBLMPMP22NPSR1
Hydrochloric Acid SCHEMBL29519228 0.82 ADRB2 (0.70) ADRB2KDM4EBLMPMP22NPSR1
Hydrochloric Acid SCHEMBL28165793 0.81 MAPT (0.69) ADRB2KDM4EBLMPMP22NPSR1
SCHEMBL8557913 0.81 ADRB2 (0.65) ADRB2KDM4EBLMPMP22NPSR1
SCHEMBL8557910 0.81 ADRB2 (0.65) ADRB2KDM4EBLMPMP22NPSR1
SCHEMBL25100811 0.80 MAPT (0.69) ADRB2KDM4EBLMPMP22NPSR1
SCHEMBL3222614 0.80 MAPT (0.69) ADRB2KDM4EBLMPMP22NPSR1
SCHEMBL9768173 0.80 MAPT (0.69) ADRB2KDM4EBLMPMP22NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114460188-A Kit for detecting human plasma catecholamine intermediate metabolite and testing method 上海睿质科技有限公司 2022-05-10 — — CN claimed
CN-114460188-A Kit for detecting human plasma catecholamine intermediate metabolite and testing method 上海睿质科技有限公司 2022-05-10 — — CN disclosed
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