Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28019199

C=CC(=O)OCCC.CCCCN(CCCC)CCCC.Cl

nearest known ligand 0.65

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
CHRM2 known ✓ P08172 1/20 0.40
HTR1A known ✓ P08908 1/20 0.40
GAA known ✓ P10253 1/20 0.40
DRD3 known ✓ P35462 1/20 0.40
SCN1A known ✓ P35498 1/20 0.40
SLC6A3 known ✓ Q01959 1/20 0.40
KCNH2 known ✓ Q12809 1/20 0.40
SCN2A known ✓ Q99250 1/20 0.40
SCN3A known ✓ Q9NY46 1/20 0.40
TSHR P16473 7/20 0.65
HPGD P15428 1/20 0.65
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 2/20 0.46
HIF1A Q16665 2/20 0.46
HSD17B10 Q99714 1/20 0.46
ATM Q13315 1/20 0.44
THRB P10828 4/20 0.42
HCAR2 Q8TDS4 4/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL27991997 0.98 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL142508 0.91 TSHR (0.72) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL223929 0.91 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL2830765 0.90 TSHR (0.70) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11319490 0.88 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11279409 0.88 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL21714439 0.87 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11313531 0.87 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11314790 0.87 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11306794 0.87 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107652786-A Coating composition 陶氏环球技术公司 2018-02-02 CN disclosed
CN-104822758-B Coating composition 陶氏环球技术公司 2017-11-10 CN disclosed
CN-104968736-B Coating composition 陶氏环球技术有限责任公司 2017-09-05 CN disclosed
CN-104769048-B Coating composition 陶氏环球技术有限公司 2017-07-07 CN disclosed
CN-104968736-A Coating compositions DOW GLOBAL TECHNOLOGIES LLC 2015-10-07 CN disclosed
CN-104822758-A Coating composition DOW WOLFF CELLULOSICS GMBH 2015-08-05 CN disclosed
CN-104769048-A Coating composition DOW GLOBAL TECHNOLOGIES INC 2015-07-08 CN disclosed