Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5527665

CCC(N)(CC)CCOc1cc(N)ccc1N.Cl

nearest known ligand 0.49

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
GAA known ✓ P10253 4/20 0.49
BCHE known ✓ P06276 2/20 0.34
ACHE known ✓ P22303 2/20 0.34
SCN1A known ✓ P35498 2/20 0.33
SCN2A known ✓ Q99250 2/20 0.33
SCN3A known ✓ Q9NY46 2/20 0.33
SLC6A2 known ✓ P23975 1/20 0.33
SLC6A3 known ✓ Q01959 1/20 0.33
KCNH2 known ✓ Q12809 1/20 0.33
HRH3 known ✓ Q9Y5N1 1/20 0.33
ROCK2 known ✓ O75116 1/20 0.32
HTR2A known ✓ P28223 1/20 0.31
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
TP53 P04637 2/20 0.49

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 SCHEMBL7171244 0.98 ALDH1A1 (0.47) ALDH1A1MAPTGAAKDM4EMEN1
Hydrochloric Acid SCHEMBL7164894 0.98 ALDH1A1 (0.47) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL4667844 0.98 ALDH1A1 (0.46) ALDH1A1MAPTGAAKDM4EMEN1
Water SCHEMBL2921448 0.97 ALDH1A1 (0.45) ALDH1A1MAPTGAAKDM4EMEN1
Hydrochloric Acid SCHEMBL5528818 0.88 GAA (0.66) ALDH1A1MAPTGAAKDM4EMEN1
Hydrochloric Acid SCHEMBL6152413 0.88 GAA (0.66) ALDH1A1MAPTGAAKDM4EMEN1
Hydrochloric Acid SCHEMBL7739876 0.88 GAA (0.66) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL2930157 0.86 GAA (0.63) ALDH1A1MAPTGAAKDM4EMEN1
Hydrochloric Acid SCHEMBL5561998 0.82 GAA (0.46) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL2928434 0.80 GAA (0.44) ALDH1A1MAPTGAAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334713-B1 Dyeing composition comprising diaminopyrazole and cationic compounds as oxidation bases and a coupling agent OREAL (FR) 2005-12-07 EP claimed
US-6905522-B2 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler L'OREAL S.A. (FR) 2005-06-14 US claimed
US-20050097681-A9 DYE COMPOSITION COMPRISING AN OXIDATION BASE OF THE DIAMINOPYRAZOLE TYPE, A CATIONIC OXIDATION BASE AND A COUPLER L'OREAL S.A. (FR) 2005-05-12 US claimed
US-20040045100-A1 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler KRAVTCHENKO SYLVAIN (FR) 2004-03-11 US claimed
US-7179303-B2 Active ingredient combinations for hair-dyeing agents HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-02-20 US disclosed
US-6905522-B2 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler L'OREAL S.A. (FR) 2005-06-14 US disclosed
US-20050097681-A9 DYE COMPOSITION COMPRISING AN OXIDATION BASE OF THE DIAMINOPYRAZOLE TYPE, A CATIONIC OXIDATION BASE AND A COUPLER L'OREAL S.A. (FR) 2005-05-12 US disclosed
US-20040133996-A1 Active ingredient combinations for hair-dyeing agents HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 US disclosed
US-20040064901-A1 Enzymatic coloring agents HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2004-04-08 US disclosed
US-20040045100-A1 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler KRAVTCHENKO SYLVAIN (FR) 2004-03-11 US 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 (4 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-20040133996-A1 Active ingredient combinations for hair-dyeing agents KRT18, COL1A1, MKI67 GAA 1489/4885BCHE 2676/4885ACHE 1609/4885
US-20040064901-A1 Enzymatic coloring agents GLA, HEXA, HSD17B14 GAA 49/4885BCHE 284/4885ACHE 401/4885
US-20050097681-A9 DYE COMPOSITION COMPRISING AN OXIDATION BASE OF THE DIAMINOPYRAZOLE TYPE, A CATIONIC OXIDATION BASE AND A COUPLER KRT18, AOC1, CYB5R3 GAA 4232/4885BCHE 2153/4885ACHE 1629/4885
US-20040045100-A1 Dye composition comprising an oxidation base of the diaminopyrazole type, a cationic oxidation base and a coupler KRT18, AOC1, CYB5R3 GAA 4232/4885BCHE 2153/4885ACHE 1629/4885

“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.