Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7612933

CC(=O)NCCCN(N)C(=N)N.Cl

nearest known ligand 0.47

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 12)

geneUniProtsupporting neighboursconfidence
ADRA1A known ✓ P35348 1/20 0.39
DRD3 known ✓ P35462 1/20 0.31
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
PAOX Q6QHF9 3/20 0.44
TSHR P16473 1/20 0.35
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
ALDH1A1 P00352 2/20 0.34
SPHK1 Q9NYA1 3/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL7613702 0.98 KDM4E (0.48) KDM4EMAPK1HIF1APAOXADRA1A
Bromide SCHEMBL7613738 0.96 KDM4E (0.47) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL7615499 0.93 HIF1A (0.52) KDM4EMAPK1HIF1APAOXADRA1A
Bromide SCHEMBL7619298 0.91 HIF1A (0.50) KDM4EMAPK1HIF1APAOXADRA1A
Hydrochloric Acid SCHEMBL3500893 0.89 KDM4E (0.40) KDM4EMAPK1HIF1APAOXADRA1A
Bromide SCHEMBL7610282 0.87 KDM4E (0.39) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL7610185 0.87 KDM4E (0.41) KDM4EMAPK1HIF1APAOXADRA1A
Bromide SCHEMBL7611201 0.85 KDM4E (0.40) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL16316781 0.72 KDM4E (0.58) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL14598288 0.72 KDM4E (0.65) KDM4EMAPK1HIF1APAOXADRA1A

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
US-5877217-A INHIBITING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS OF TARGET PROTEINS. INHIBITING THE DISCOLORATION OF TEETH. ALTEON INC. (US) 1999-03-02 US claimed
EP-0888293-A1 N-ACYLAMINOALKYLHYDRAZINECARBOXIMIDAMIDES ALTEON, INC. (US) 1999-01-07 EP claimed
WO-1997023447-A1 N-ACYLAMINOALKYLHYDRAZINECARBOXIMIDAMIDES ALTEON INC. (US) 1997-07-03 WO claimed
EP-0888293-B1 N-ACYLAMINOALKYLHYDRAZINECARBOXIMIDAMIDES ALTEON INC (US) 2002-03-27 EP disclosed
EP-0888293-A1 N-ACYLAMINOALKYLHYDRAZINECARBOXIMIDAMIDES ALTEON, INC. (US) 1999-01-07 EP disclosed
WO-1997023447-A1 N-ACYLAMINOALKYLHYDRAZINECARBOXIMIDAMIDES ALTEON INC. (US) 1997-07-03 WO disclosed