Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2486152

CCN(CC)Cc1ccc(C(C)=C(C)c2ccc(CN(CC)CC)c(O)c2)cc1O.Cl.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 20)

geneUniProtsupporting neighboursconfidence
CACNA1B known ✓ Q00975 1/20 0.58
JAK2 known ✓ O60674 1/20 0.54
ACHE known ✓ P22303 2/20 0.53
BCHE known ✓ P06276 1/20 0.50
PRKCI known ✓ P41743 1/20 0.50
MAOB known ✓ P27338 2/20 0.45
CA2 known ✓ P00918 4/20 0.44
KCNH2 known ✓ Q12809 1/20 0.38
HRH3 known ✓ Q9Y5N1 1/20 0.36
POLB P06746 2/20 0.59
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
THRB P10828 1/20 0.58
APEX1 P27695 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 1/20 0.58
APBA1 Q02410 1/20 0.58

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 SCHEMBL2486362 1.00 POLB (0.59) POLBALDH1A1KDM4EMEN1MAPT
SCHEMBL2484377 0.98 POLB (0.60) POLBALDH1A1KDM4EMEN1MAPT
SCHEMBL2484373 0.98 POLB (0.60) POLBALDH1A1KDM4EMEN1MAPT
SCHEMBL13338336 0.98 POLB (0.60) POLBALDH1A1KDM4EMEN1MAPT
SCHEMBL2482978 0.86 POLB (0.73) POLBALDH1A1KDM4EMEN1MAPT
SCHEMBL13338334 0.86 POLB (0.73) POLBALDH1A1KDM4EMEN1MAPT
SCHEMBL2482973 0.86 POLB (0.73) POLBALDH1A1KDM4EMEN1MAPT
SCHEMBL2485475 0.83 JAK2 (0.78) POLBALDH1A1KDM4EMEN1MAPT
SCHEMBL2485483 0.83 JAK2 (0.78) POLBALDH1A1KDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL2484260 0.82 ALDH1A1 (0.55) POLBALDH1A1KDM4EMEN1MAPT

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
US-20110301159-A1 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF SOUTH FLORIDA (US) 2011-12-08 US claimed
EP-2376425-A2 KINASE INHIBITOR COMPOUNDS University of Florida Research Foundation, Inc. (US) 2011-10-19 EP claimed
WO-2010068710-A2 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-17 WO claimed
US-20140248634-A1 VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2014-09-04 US disclosed
WO-2013019655-A2 VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2013-02-07 WO disclosed
US-20110301159-A1 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF SOUTH FLORIDA (US) 2011-12-08 US disclosed
EP-2376425-A2 KINASE INHIBITOR COMPOUNDS University of Florida Research Foundation, Inc. (US) 2011-10-19 EP disclosed
WO-2010068710-A2 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-17 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-20110301159-A1 KINASE INHIBITOR COMPOUNDS JAK2, JAK1, JAK3 CACNA1B 4505/4885JAK2 1/4885ACHE 4871/4885

“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.