Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2059992

CCCCCCCCCCCCCCCCCCc1ccccc1C(N)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.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 20)

geneUniProtsupporting neighboursconfidence
S1PR1 known ✓ P21453 2/20 0.42
S1PR4 known ✓ O95977 1/20 0.40
S1PR3 known ✓ Q99500 1/20 0.40
S1PR5 known ✓ Q9H228 1/20 0.40
KCNH2 known ✓ Q12809 1/20 0.39
PPARG known ✓ P37231 1/20 0.38
LIPG Q9Y5X9 1/20 0.47
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
TNNC1 P63316 5/20 0.40
SGPL1 O95470 1/20 0.40
GPR183 P32249 1/20 0.40
CERS2 Q96G23 1/20 0.40
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38

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 SCHEMBL29286909 1.00 LIPG (0.47) LIPGS1PR1NR1H2NR1H3CYSLTR2
Hydrochloric Acid SCHEMBL8591558 1.00 LIPG (0.47) LIPGS1PR1NR1H2NR1H3CYSLTR2
Hydrochloric Acid SCHEMBL15811749 1.00 LIPG (0.47) LIPGS1PR1NR1H2NR1H3CYSLTR2
Hydrochloric Acid SCHEMBL3387556 1.00 LIPG (0.47) LIPGS1PR1NR1H2NR1H3CYSLTR2
SCHEMBL8592575 0.98 LIPG (0.49) LIPGS1PR1NR1H2NR1H3CYSLTR2
Hydrochloric Acid SCHEMBL28845901 0.98 LIPG (0.45) LIPGS1PR1NR1H2NR1H3CYSLTR2
SCHEMBL1537240 0.98 LIPG (0.49) LIPGS1PR1NR1H2NR1H3CYSLTR2
SCHEMBL2530765 0.98 LIPG (0.49) LIPGS1PR1NR1H2NR1H3CYSLTR2
Bromide SCHEMBL20163268 0.97 LIPG (0.47) LIPGS1PR1NR1H2NR1H3CYSLTR2
Bromide SCHEMBL11614736 0.97 LIPG (0.47) LIPGS1PR1NR1H2NR1H3CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044926-B1 ORAL COMPOSITION FOR DENTAL PURPOSES NAT UNIV CORPORATION OKAYAMA UNIV (JP) 2018-01-10 EP disclosed
US-8999298-B2 Dental oral composition NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2015-04-07 US disclosed
EP-2241304-B1 DENTAL ORAL COMPOSITION UNIV OKAYAMA NAT UNIV CORP (JP) 2015-03-25 EP disclosed
US-8147807-B2 Oral composition for dental purposes NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2012-04-03 US disclosed
US-20100330005-A1 DENTAL ORAL COMPOSITION KURARAY MEDICAL INC. (JP) 2010-12-30 US disclosed
EP-2241304-A1 DENTAL ORAL COMPOSITION Kuraray Medical Inc. (JP) 2010-10-20 EP disclosed
US-20100240714-A1 ORAL COMPOSITION FOR DENTAL PURPOSES NAT. UNI. CORP. OKAYAMA UNIVERSITY (JP) 2010-09-23 US disclosed
EP-2044926-A1 ORAL COMPOSITION FOR DENTAL PURPOSES National University Corporation Okayama University (JP) 2009-04-08 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-20100330005-A1 DENTAL ORAL COMPOSITION TAS2R42, TAS2R43, PPM1G S1PR1 544/4885S1PR4 1115/4885S1PR3 884/4885
US-20100240714-A1 ORAL COMPOSITION FOR DENTAL PURPOSES DDOST, PPM1G, PHOSPHO1 S1PR1 345/4885S1PR4 744/4885S1PR3 353/4885

“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.