Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4538285

CCCCCCCCNCCN(CCNCCCCCCCC)CC(=O)O.Cl

nearest known ligand 0.45

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
S1PR2 known ✓ O95136 5/20 0.43
S1PR4 known ✓ O95977 5/20 0.43
S1PR1 known ✓ P21453 5/20 0.43
S1PR3 known ✓ Q99500 5/20 0.43
S1PR5 known ✓ Q9H228 1/20 0.43
CHRM2 known ✓ P08172 1/20 0.42
ADRA2A known ✓ P08913 1/20 0.42
DRD1 known ✓ P21728 1/20 0.42
SLC6A2 known ✓ P23975 1/20 0.42
SLC6A4 known ✓ P31645 1/20 0.42
ADRA1A known ✓ P35348 1/20 0.42
DRD3 known ✓ P35462 1/20 0.42
SLC6A3 known ✓ Q01959 1/20 0.42
HRH3 known ✓ Q9Y5N1 1/20 0.42
PPARG known ✓ P37231 4/20 0.39
HDAC11 known ✓ Q96DB2 3/20 0.39
ESR1 known ✓ P03372 1/20 0.39
PDE4A known ✓ P27815 1/20 0.39
PDE3A known ✓ Q14432 1/20 0.39
TSHR P16473 5/20 0.45

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
SCHEMBL133298 0.98 TSHR (0.46) TSHRALDH1A1S1PR2S1PR4S1PR1
Hydrochloric Acid SCHEMBL15263821 0.92 RELA (0.38) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL355144 0.92 PAOX (0.43) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL31347643 0.92 PAOX (0.49) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL11588468 0.91 TSHR (0.39) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL11585916 0.91 TSHR (0.39) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL5880662 0.91 PAOX (0.42) TSHRALDH1A1S1PR2S1PR4S1PR1
SCHEMBL4945383 0.90 TSHR (0.42) TSHRALDH1A1S1PR2S1PR4S1PR1
Edetic Acid SCHEMBL10949676 0.89 TDP1 (0.52) TSHRALDH1A1S1PR2S1PR4S1PR1
Nitrilotriacetic Acid SCHEMBL1118282 0.89 TSHR (0.52) TSHRALDH1A1S1PR2S1PR4S1PR1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115428128-A Hollow microspheres 株式会社德山 2022-12-02 CN disclosed
CN-115379926-A Hollow microspheres for CMP polishing pads 株式会社德山 2022-11-22 CN disclosed
US-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES AG (AT) 2014-11-27 US disclosed
EP-2674161-A1 FMO3 inhibitors for treating pain Akron Molecules GmbH (AT) 2013-12-18 EP disclosed
US-20130252924-A1 Compounds and Methods for Treating Pain AKRON MOLECULES GMBH (AT) 2013-09-26 US disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
US-7364723-B1 Liquid preparation for contact lenses MENICON CO., LTD. (JP) 2008-04-29 US disclosed
CN-101027986-A Compound disinfectant QUAN LIMIN (CN) 2007-09-05 CN disclosed
US-7258904-B2 Absorber and method for producing it SONY CORPORATION (JP) 2007-08-21 US disclosed
EP-0947203-B1 Agent for contact lenses MENICON CO LTD (JP) 2003-02-26 EP disclosed
EP-1214883-A1 LIQUID PREPARATION FOR CONTACT LENSES MENICON CO., LTD. (JP) 2002-06-19 EP disclosed
US-20020039629-A1 Water absorber and method for fabricating the same SONY CORPORATION (JP) 2002-04-04 US disclosed
EP-1186344-A2 Water absorber and method for fabricating the same SONY CORPORATION (JP) 2002-03-13 EP disclosed
US-20010021752-A1 Antimicrobial agent and production process thereof SONY CORPORATION 2001-09-13 US disclosed
EP-1132412-A1 Antimicrobial agent and production process thereof SONY CORPORATION (JP) 2001-09-12 EP disclosed
US-6177480-B1 MIXTURE OF WATER AND SMECTITE; CLEANING, PRESERVATIVE, RINSING, STABILIZING MENICON CO., LTD. (JP) 2001-01-23 US disclosed
US-6121327-A MIXTURE OF NITROGEN DISINFECTANT, ALCOHOL AND BIS(2-HYDROXYETHYL)IMINOTRI(HYDROXYMETHYL)METHANE MENICON CO., LTD. (JP) 2000-09-19 US disclosed
EP-0958836-A2 Contact lens disinfecting solution Menicon Co., Ltd. (JP) 1999-11-24 EP disclosed
EP-0947203-A2 Agent for contact lenses Menicon Co., Ltd. (JP) 1999-10-06 EP 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 (2 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-20140349969-A1 COMPOUNDS AND METHODS FOR TREATING PAIN TRPV1, ACHE, OPRL1 S1PR2 475/4885S1PR4 474/4885S1PR1 584/4885
US-20130252924-A1 Compounds and Methods for Treating Pain TRPV1, ACHE, OPRL1 S1PR2 475/4885S1PR4 474/4885S1PR1 584/4885

“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.