Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4415682

Cl.Cl.N=C(N)NCCCCCCCCCCNC(=N)NC(=O)c1nc(Cl)c(N)nc1N

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
SCNN1A known ✓ P37088 17/20 0.49
GLA known ✓ P06280 3/20 0.46
GAA known ✓ P10253 1/20 0.44
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 3/20 0.46
GMNN O75496 3/20 0.46
PMP22 Q01453 3/20 0.46
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
NFKB1 P19838 2/20 0.44
THPO P40225 2/20 0.44
HIF1A Q16665 2/20 0.44
MAPT P10636 1/20 0.44
FTO Q9C0B1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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 SCHEMBL4885298 1.00 SCNN1A (0.49) SCNN1AALDH1A1KDM4EHPGDGLA
Hydrochloric Acid SCHEMBL5038818 1.00 SCNN1A (0.49) SCNN1AALDH1A1KDM4EHPGDGLA
Hydrochloric Acid SCHEMBL4415215 1.00 SCNN1A (0.49) SCNN1AALDH1A1KDM4EHPGDGLA
Hydrochloric Acid SCHEMBL4878103 1.00 SCNN1A (0.49) SCNN1AALDH1A1KDM4EHPGDGLA
Hydrochloric Acid SCHEMBL4886623 1.00 SCNN1A (0.49) SCNN1AALDH1A1KDM4EHPGDGLA
SCHEMBL14088190 0.99 SCNN1A (0.50) SCNN1AALDH1A1KDM4EHPGDGLA
SCHEMBL14088201 0.99 SCNN1A (0.50) SCNN1AALDH1A1KDM4EHPGDGLA
SCHEMBL14088195 0.99 SCNN1A (0.50) SCNN1AALDH1A1KDM4EHPGDGLA
SCHEMBL14088206 0.99 SCNN1A (0.50) SCNN1AALDH1A1KDM4EHPGDGLA
SCHEMBL14088205 0.99 SCNN1A (0.50) SCNN1AALDH1A1KDM4EHPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670475-A4 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES INC (US) 2009-04-15 EP disclosed
US-20080200476-A1 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2008-08-21 US disclosed
US-7375107-B2 Such as N-(6-aminohexyl)-N'-(3,5-diamino-6-chloropyrazine-2-carbonyl)guanidine Dihydrochloride; for hydration of mucosal surfaces, treating chronic bronchitis, cystic fibrosis, sinusitis, vaginal dryness, dry eye, esophogitis, emphysema, and pneumonia PARION SCIENCES, INC. (US) 2008-05-20 US disclosed
EP-1670475-A2 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS Parion Sciences, Inc. (US) 2006-06-21 EP disclosed
EP-1656096-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS Parion Sciences, Inc. (US) 2006-05-17 EP disclosed
US-20050090505-A1 Methods of reducing risk of infection from pathogens JOHNSON MICHAEL R (US) 2005-04-28 US disclosed
WO-2005034847-A2 METHODS OF REDUCING RISK OF INFECTION FROM PATHOGENS PARION SCIENCES, INC. (US) 2005-04-21 WO disclosed
US-20050080092-A1 Alaphatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2005-04-14 US disclosed
WO-2005025496-A2 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2005-03-24 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 (3 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-20050080092-A1 Alaphatic pyrazinoylguanidine sodium channel blockers KCNH1, CACNA1B, CACNA1C SCNN1A 66/4885GLA 1957/4885GAA 298/4885
US-20050090505-A1 Methods of reducing risk of infection from pathogens KCNN3, KCNN1, KCNN2 SCNN1A 14/4885GLA 948/4885GAA 977/4885
US-20080200476-A1 ALAPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS KCNH1, CACNA1B, CACNA1C SCNN1A 66/4885GLA 1957/4885GAA 298/4885

“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.