Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6716290

CCCCCCCCCCCCCC[N+](C)(C)C1CCN(c2ccc(N)cc2)C1.C[N+](C)(C)C1CCN(c2ccc(N)cc2)C1.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
DPP4 known ✓ P27487 9/20 0.37
GAA known ✓ P10253 2/20 0.36
GRM2 Q14416 1/20 0.40
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
RAD52 P43351 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SPHK1 Q9NYA1 8/20 0.33
SPHK2 Q9NRA0 7/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 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
SCHEMBL2268631 0.95 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2272222 0.95 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2266681 0.95 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2267999 0.95 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2269575 0.95 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2265915 0.95 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL2540978 0.94 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL2537383 0.94 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL6401114 0.94 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL7141929 0.94 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT

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-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US claimed
US-20040216244-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and an organic diacid, methods and uses L'OREAL (FR) 2004-11-04 US claimed
US-20040216245-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a para-aminophenol, methods and uses L'OREAL (FR) 2004-11-04 US claimed
US-20040216246-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a polymer containing a fatty chain, methods and uses L'OREAL (FR) 2004-11-04 US claimed

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-20040216246-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a polymer containing a fatty chain, methods and uses KRT18, PLIN5, PLIN1 DPP4 2590/4885GAA 4515/4885GRM2 4302/4885
US-20040216245-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a para-aminophenol, methods and uses KRT18, CDC73, NUP205 DPP4 1333/4885GAA 4611/4885GRM2 4488/4885
US-20040216244-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and an organic diacid, methods and uses KRT18, CDC73, DDC DPP4 2152/4885GAA 4540/4885GRM2 4712/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 DPP4 3854/4885GAA 4874/4885GRM2 4016/4885

“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.