Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2887148

CC(C)(NCCCn1ccnc1)c1ccccc1Cl.Cl.Cl

nearest known ligand 0.51

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 16)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.48
PRKCI known ✓ P41743 1/20 0.44
IKBKB O14920 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SOD1 P00441 2/20 0.47
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.45
QPCT Q16769 2/20 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
SCHEMBL13696720 0.81 CYP11B1 (0.55) ALDH1A1SOD1QPCTPRKCI
Hydrochloric Acid SCHEMBL2887150 0.80 LMNA (0.55) ALDH1A1MEN1KMT2ALMNAQPCT
SCHEMBL8443962 0.79 LMNA (0.56) ALDH1A1MEN1KMT2ALMNAQPCT
Hydrochloric Acid SCHEMBL8445872 0.78 ALDH1A1 (0.47) ALDH1A1MEN1GAAHTTKMT2A
SCHEMBL8444382 0.77 GSK3A (0.48) ALDH1A1MEN1GAAHTTKMT2A
Hydrochloric Acid SCHEMBL8949432 0.76 ALDH1A1 (0.55) TSHRALDH1A1MEN1GAAKMT2A
Hydrochloric Acid SCHEMBL8446125 0.75 SOD1 (0.52) TSHRALDH1A1MEN1GAAKMT2A
SCHEMBL7875276 0.75 ALOX15 (0.46) IKBKBMEN1KMT2AALOX15HSD17B10
Hydrochloric Acid SCHEMBL8446129 0.75 SOD1 (0.52) TSHRALDH1A1MEN1GAAKMT2A
SCHEMBL8444094 0.75 TP53 (0.52) TSHRALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1892239-B1 Inhibitors of cytosolic phospholipase A2 WYETH LLC (US) 2013-02-20 EP disclosed
US-8283373-B2 Inhibitors of cytosolic phospholipase A2 PFIZER INC. (US) 2012-10-09 US disclosed
CN-102040550-B Inhibitors of cytosolic phospholipase A2 WYETH CORP 2012-10-03 CN disclosed
CN-101628888-B Inhibitors of cytosolic phospholipase a2 WYETH CORP 2012-05-23 CN disclosed
CN-102040550-A Inhibitors of cytosolic phospholipase A2 WYETH CORP 2011-05-04 CN disclosed
CN-101184729-B Cytosolic phospholipase A2Inhibitors WYETH CORP 2011-02-16 CN disclosed
EP-2248801-A1 Inhibitors of cytosolic phospholipase a2 Wyeth LLC (US) 2010-11-10 EP disclosed
US-7713964-B2 Methods for treating asthmatic conditions WYETH LLC (US) 2010-05-11 US disclosed
US-20100029645-A1 Inhibitors of Cytosolic Phospholipase A2 WYETH LLC 2010-02-04 US disclosed
US-20100022536-A1 Inhibitors of Cytosolic Phospholipase A2 NOVARTIS AG (CH) 2010-01-28 US disclosed
CN-101184729-A Cytosolic phospholipase A2Inhibitors WYETH CORP (US) 2008-05-21 CN disclosed
EP-1891006-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 Wyeth a Corporation of the State of Delaware (US) 2008-02-27 EP disclosed
EP-1892239-A1 Inhibitors of cytosolic phospholipase A2 Wyeth a Corporation of the State of Delaware (US) 2008-02-27 EP disclosed
EP-1451154-B1 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 WYETH CORP (US) 2008-01-16 EP disclosed
US-20070004719-A1 Inhibitors of cytosolic phospholipase A2 WYETH (US) 2007-01-04 US disclosed
WO-2006128142-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 WYETH (US) 2006-11-30 WO disclosed
CN-1617855-A Cytosolic phospholipase A2Inhibitors WYETH CORP (US) 2005-05-18 CN disclosed
EP-1451154-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 Wyeth (US) 2004-09-01 EP disclosed
US-20030149029-A1 Methods for treating asthmatic conditions WYETH 2003-08-07 US disclosed
WO-2003048122-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 WYETH (US) 2003-06-12 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 (4 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-20100022536-A1 Inhibitors of Cytosolic Phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A GAA 667/4885PRKCI 251/4885IKBKB 902/4885
US-20100029645-A1 Inhibitors of Cytosolic Phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A GAA 667/4885PRKCI 251/4885IKBKB 902/4885
US-20030149029-A1 Methods for treating asthmatic conditions PLA2G4A, PLA2G4B, PLA2G1B GAA 1193/4885PRKCI 878/4885IKBKB 1303/4885
US-20070004719-A1 Inhibitors of cytosolic phospholipase A2 PLA2G4B, PLA2G4A, PLA2G12A GAA 667/4885PRKCI 251/4885IKBKB 902/4885

“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.