Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11273167

Cl.FC(F)(F)c1cccc(OCC2=NCCN2)c1

nearest known ligand 0.61

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
MAOA known ✓ P21397 2/20 0.61
MAOB known ✓ P27338 2/20 0.61
ADRA1A known ✓ P35348 2/20 0.47
HTR1A known ✓ P08908 1/20 0.46
ADRA2A known ✓ P08913 1/20 0.46
ADRA2B known ✓ P18089 1/20 0.46
ADRA2C known ✓ P18825 1/20 0.46
ADRA1D known ✓ P25100 1/20 0.44
ADRA1B known ✓ P35368 1/20 0.44
HTR1B known ✓ P28222 1/20 0.44
NISCH Q9Y2I1 7/20 0.61
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44

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
SCHEMBL3163279 0.99 NISCH (0.62) NISCHMAOAMAOBLMNAPKM
Hydrochloric Acid SCHEMBL5201240 0.80 NISCH (0.66) NISCHMAOAMAOBLMNAHSD17B10
Hydrochloric Acid SCHEMBL11259967 0.78 NISCH (0.97) NISCHMAOAMAOBLMNAHSD17B10
SCHEMBL3173653 0.78 NISCH (0.68) NISCHMAOAMAOBHSD17B10ADRA1A
SCHEMBL5203987 0.78 NISCH (0.68) NISCHMAOAMAOBHSD17B10ADRA1A
SCHEMBL546875 0.77 NISCH (1.00) NISCHMAOAMAOBLMNAHSD17B10
SCHEMBL11264214 0.76 NISCH (0.68) NISCHMAOAMAOBHSD17B10ADRA1A
SCHEMBL11130963 0.76 NISCH (0.64) NISCHMAOAMAOBADRA1AHTR1A
SCHEMBL953586 0.75 HTR1B (0.62) NISCHMAOAMAOBLMNAADRA1A
SCHEMBL3172398 0.75 NISCH (0.71) NISCHMAOAMAOBLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4020167-A COMBATTING NARCOSIS THE DOW CHEMICAL COMPANY (US) 1977-04-26 US claimed
US-4343808-A Method of inhibiting sickling of sickle erythrocytes THE DOW CHEMICAL COMPANY (US) 1982-08-10 US disclosed
US-4163105-A Aryloxymethyl imidazolines THE DOW CHEMICAL COMPANY (US) 1979-07-31 US disclosed
US-4020167-A COMBATTING NARCOSIS THE DOW CHEMICAL COMPANY (US) 1977-04-26 US disclosed