Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1997517

CCCCC(N)CCCC.Cl

nearest known ligand 0.59

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 13)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.48
S1PR2 known ✓ O95136 5/20 0.46
S1PR1 known ✓ P21453 5/20 0.46
S1PR3 known ✓ Q99500 5/20 0.46
S1PR4 known ✓ O95977 4/20 0.46
CA2 known ✓ P00918 1/20 0.39
PLA2G1B P04054 1/20 0.46
PLA2G2A P14555 1/20 0.46
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
DNM1 Q05193 3/20 0.43
CA1 P00915 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39

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
SCHEMBL272998 0.97 OPRM1 (0.50) OPRM1S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL15577381 0.94 ALDH1A1 (0.50) OPRM1S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL21807740 0.94 OPRM1 (0.57) OPRM1S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL6264548 0.94 ALDH1A1 (0.50) OPRM1S1PR2S1PR1S1PR3S1PR4
Fluoride SCHEMBL1995827 0.93 OPRM1 (0.48) OPRM1S1PR2S1PR1S1PR3S1PR4
Bromide SCHEMBL1993996 0.93 OPRM1 (0.48) OPRM1S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL21807741 0.91 PLA2G1B (0.58) OPRM1S1PR2S1PR1S1PR3S1PR4
Hydrochloric Acid SCHEMBL8773734 0.91 PLA2G1B (0.58) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL6764723 0.90 ALDH1A1 (0.52) OPRM1S1PR2S1PR1S1PR3S1PR4
SCHEMBL13971145 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9243013-B2 Ionic compound, method for producing the same, and ion-conductive material comprising the same NIPPON SHOKUBAI CO., LTD. (JP) 2016-01-26 US disclosed
CN-104387410-A Method for producing ionic compound NIPPON CATALYTIC CHEM IND 2015-03-04 CN disclosed
CN-102124014-A Ionic compound, method for producing same, and ion-conductive material using same NIPPON CATALYTIC CHEM IND 2011-07-13 CN disclosed
US-20110150736-A1 IONIC COMPOUND, METHOD FOR PRODUCING THE SAME, AND ION-CONDUCTIVE MATERIAL COMPRISING THE SAME NIPPON SHOKUBAI CO., LTD. (JP) 2011-06-23 US disclosed
EP-2327707-A1 IONIC COMPOUND, PROCESS FOR PRODUCING SAME, AND ION-CONDUCTIVE MATERIAL COMPRISING SAME Nippon Shokubai Co., Ltd. (JP) 2011-06-01 EP disclosed
EP-1066329-B1 POLYMERIC SUPPORTED CATALYSTS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2007-02-14 EP disclosed
EP-1135375-B1 SUBSTITUTED 1,3,5-TRIAZINES AS HERBICIDES BAYER CROPSCIENCE KK (JP) 2005-11-09 EP disclosed
CN-1165528-C Substituted 1,3,5-triazines as herbicides �ձ��ݶ�ũҩ��ʽ���� 2004-09-08 CN disclosed
US-6645915-B1 Cyclohexylalkylamino-1,3,5-triazines derivatives; herbicides; cyclization of biguanide NIHON BAYER AGROCHEM K. K. (JP) 2003-11-11 US disclosed
US-6426313-B2 CROSSLINKED POLYMERIC BEADS AS CATALYST SUPPORT EXXON MOBIL CHEMICAL PATENTS INC. 2002-07-30 US disclosed
US-20020010079-A1 POLYMERIC SUPPORTED CATALYSTS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. 2002-01-24 US disclosed
CN-1329602-A Substituted 1,3,5-triazines as herbicides BAYER AGROCHEM KK (JP) 2002-01-02 CN disclosed
EP-1135375-A2 SUBSTITUTED 1,3,5-TRIAZINES AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-09-26 EP disclosed
WO-2000032580-A2 SUBSTITUTED 1,3,5-TRIAZINES AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2000-06-08 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 (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-20110150736-A1 IONIC COMPOUND, METHOD FOR PRODUCING THE SAME, AND ION-CONDUCTIVE MATERIAL COMPRISING THE SAME KCNB1, KCNB2, KCNMB1 OPRM1 2319/4885S1PR2 2809/4885S1PR1 3039/4885

“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.