Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3391003

CNc1nc(OC)ccc1N.Cl

nearest known ligand 0.40

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
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
PDE10A Q9Y233 2/20 0.37
NNMT P40261 2/20 0.36
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 3/20 0.33
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
SYK P43405 1/20 0.33
PTPN1 P18031 1/20 0.33
PGK1 P00558 1/20 0.33

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
Hydrochloric Acid SCHEMBL4602018 1.00 SIRT2 (0.40) SIRT2SIRT1PDE10ANNMTALDH1A1
Hydrochloric Acid SCHEMBL31409347 1.00 SIRT2 (0.40) SIRT2SIRT1PDE10ANNMTALDH1A1
SCHEMBL29378197 0.98 SIRT2 (0.41) SIRT2SIRT1PDE10ANNMTALDH1A1
SCHEMBL95212 0.98 SIRT2 (0.41) SIRT2SIRT1PDE10ANNMTALDH1A1
Hydrochloric Acid SCHEMBL22612465 0.94 SIRT2 (0.39) SIRT2SIRT1PDE10ANNMTALDH1A1
Sulfuric Acid SCHEMBL8448369 0.88 NNMT (0.38) SIRT2SIRT1PDE10ANNMTALDH1A1
Orcinol SCHEMBL6424543 0.84 NNMT (0.36) SIRT2SIRT1PDE10ANNMTALDH1A1
Resorcinol SCHEMBL8056965 0.84 HSD17B1 (0.41) SIRT2SIRT1NNMTALDH1A1TDP1
SCHEMBL8043904 0.83 NNMT (0.35) SIRT2SIRT1PDE10ANNMTALDH1A1
SCHEMBL3245424 0.82 ALDH1A1 (0.41) SIRT2SIRT1PDE10ANNMTALDH1A1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114942280-A Method for content determination and mass spectrum confirmation of 12 hair dyes in cosmetics 上海市食品药品检验研究院 2022-08-26 CN claimed
CN-112955112-A Two-component system for artificial hair coloring 汉高股份有限及两合公司 2021-06-11 CN claimed
EP-2107902-B2 COSMETIC COMPOSITION CONTAINING ARGAN OIL AND SHEA BUTTER HENKEL AG & CO KGAA (DE) 2022-11-23 EP disclosed
CN-114942280-A Method for content determination and mass spectrum confirmation of 12 hair dyes in cosmetics 上海市食品药品检验研究院 2022-08-26 CN disclosed
CN-112955112-A Two-component system for artificial hair coloring 汉高股份有限及两合公司 2021-06-11 CN disclosed
EP-3464247-B1 NOVEL OXIDATION BASE DERIVED FROM 1-HEXYL-4,5- DIAMINOPYRAZOLE, COMPOSITION CONTAINING SAME AND USE THEREOF IN OXIDATION DYEING OF KERATIN FIBRES OREAL (FR) 2020-03-11 EP disclosed
US-20190209449-A1 COLOR PROTECTION HAIR TREATMENT AGENT WITH EARTH ALKALINE SALTS OF DICARBOXYLIC ACIDS HENKEL AG & CO. KGAA (DE) 2019-07-11 US disclosed
EP-2190402-B2 BIOTIN AND SILICA IN DYE COMPOSITIONS HENKEL AG & CO KGAA (DE) 2018-10-17 EP disclosed
EP-2747743-B1 AGENT COMPRISING HYDROGEN PEROXIDE HAVING IMPROVED VISCOSITY ADJUSTMENT HENKEL AG & CO KGAA (DE) 2017-11-22 EP disclosed
EP-2107902-B1 COSMETIC COMPOSITION CONTAINING ARGAN OIL AND SHEA BUTTER HENKEL AG & CO KGAA (DE) 2017-01-04 EP disclosed
EP-2190402-B1 BIOTIN AND SILICA IN DYE COMPOSITIONS HENKEL AG & CO KGAA (DE) 2016-01-13 EP disclosed
EP-1411885-B1 Selective colour change of keratinic fibres HENKEL KGAA (DE) 2007-05-16 EP disclosed
WO-2006032374-A1 COLOR-MODIFYING AGENTS COMPRISING MORINGA EXTRACT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-03-30 WO disclosed
EP-1239818-B1 ENZYMATIC DYE HENKEL KGAA (DE) 2004-06-09 EP disclosed
EP-1103542-B1 Process for the preparation of 1,4-diamino-2-methoxymethyl-benzene and its salts and the use of these compounds in dyeing compositions for keratinous fibres WELLA AG (DE) 2004-04-28 EP disclosed
EP-1236460-B1 Bridged diamino pyrazoles and colouring agents containing them WELLA AG (DE) 2003-11-26 EP disclosed
EP-1110942-B1 Use of 2-aminomethyl-1,4-diamino-benzene and salts thereof in dyeing composition for keratin fibers WELLA AG (DE) 2003-10-01 EP disclosed
EP-1236460-A1 Bridged diamino pyrazoles and colouring agents containing them Wella Aktiengesellschaft (DE) 2002-09-04 EP disclosed
EP-1110942-A2 Process for the preparation of 2-aminomethyl-1,4-diamino-benzene and salts thereof, and their use in dyeing composition for keratin fibers Wella Aktiengesellschaft (DE) 2001-06-27 EP disclosed
EP-1103542-A2 Process for the preparation of 1,4-diamino-2-methoxymethyl-benzene and its salts and the use of these compounds in dyeing compositions for keratinous fibres Wella Aktiengesellschaft (DE) 2001-05-30 EP 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-20190209449-A1 COLOR PROTECTION HAIR TREATMENT AGENT WITH EARTH ALKALINE SALTS OF DICARBOXYLIC ACIDS ALPG, SLC5A6, CA2 SIRT2 584/4885SIRT1 1145/4885PDE10A 1858/4885

“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.