Hydrochloric Acid

Hydrochloric Acid

SCHEMBL456649

Cl.Nc1ccc(-c2ccsc2)c(N)c1

nearest known ligand 0.53

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
IMPDH2 known ✓ P12268 1/20 0.53
KCNH2 known ✓ Q12809 1/20 0.48
HDAC6 known ✓ Q9UBN7 1/20 0.39
GAA known ✓ P10253 1/20 0.36
MAOB known ✓ P27338 1/20 0.35
CYP2A6 P11509 5/20 0.44
TDO2 P48775 1/20 0.43
MAPT P10636 2/20 0.39
IKBKB O14920 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2B6 P20813 2/20 0.38
PTPRC P08575 1/20 0.38
CYP2E1 P05181 1/20 0.38
BACE1 P56817 1/20 0.37
CHEK2 O96017 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP1 P29466 1/20 0.34
PELI1 Q96FA3 1/20 0.34

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
SCHEMBL692248 0.98 IMPDH2 (0.54) IMPDH2KCNH2CYP2A6TDO2MAPT
Hydrochloric Acid SCHEMBL6740203 0.85 KCNH2 (0.53) IMPDH2KCNH2CYP2A6TDO2MAPT
Hydrochloric Acid SCHEMBL5704807 0.83 IMPDH2 (0.51) IMPDH2KCNH2CYP2A6TDO2MAPT
SCHEMBL145993 0.82 KCNH2 (0.55) IMPDH2KCNH2CYP2A6TDO2MAPT
SCHEMBL34467254 0.81 KCNH2 (0.57) IMPDH2KCNH2CYP2A6TDO2MAPT
SCHEMBL5704916 0.81 IMPDH2 (0.53) IMPDH2KCNH2CYP2A6TDO2MAPT
SCHEMBL6056856 0.79 IMPDH2 (0.51) IMPDH2KCNH2CYP2A6TDO2ALDH1A1
Hydrochloric Acid SCHEMBL6287793 0.78 PELI1 (0.53) IMPDH2KCNH2CYP2A6TDO2MAPT
SCHEMBL1378848 0.76 PELI1 (0.54) IMPDH2KCNH2CYP2A6TDO2MAPT
Hydrochloric Acid SCHEMBL7460062 0.75 MAPT (0.51) IMPDH2KCNH2CYP2A6TDO2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101022780-B Method for rapid hair dyeing PROCTER & GAMBLE 2014-11-05 CN disclosed
US-8632612-B2 Compositions for dyeing keratin fibers SEGETIS, INC. (US) 2014-01-21 US disclosed
EP-2613760-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS Segetis, Inc. (US) 2013-07-17 EP disclosed
US-20130156716-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS SEGETIS, INC. (US) 2013-06-20 US disclosed
CN-102824280-A Oxidizing hair colourant compositions PROCTER & GAMBLE 2012-12-19 CN disclosed
WO-2012033813-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS SEGETIS, INC. (US) 2012-03-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130156716-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS KRT18, KRTCAP2, JUP IMPDH2 2633/4885KCNH2 592/4885HDAC6 646/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.