Hydrochloric Acid

Hydrochloric Acid

SCHEMBL205946

Cl.Cl.Nc1cc(N)cc(CO)c1

nearest known ligand 0.46

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
ACHE known ✓ P22303 1/20 0.46
TOP2A known ✓ P11388 1/20 0.40
TOP2B known ✓ Q02880 1/20 0.40
MAOA known ✓ P21397 2/20 0.34
MAOB known ✓ P27338 2/20 0.34
CA2 known ✓ P00918 1/20 0.31
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.34
CASP6 P55212 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
THRB P10828 1/20 0.32
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
CA12 O43570 1/20 0.31

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
SCHEMBL205947 0.97 ACHE (0.48) ACHETOP2ATOP2BTSHRMAOA
SCHEMBL1172624 0.91 ACHE (0.48) ACHETOP2ATOP2BTSHRMAOA
SCHEMBL19078822 0.81 LOXL2 (0.40) ACHETOP2ATOP2BTSHRKDM4E
SCHEMBL4936785 0.81 ACHE (0.67) ACHETOP2ATOP2BKDM4ECASP6
SCHEMBL18407678 0.81 ACHE (0.40) ACHETOP2ATOP2BTSHRKDM4E
SCHEMBL23429131 0.79 ACHE (0.39) ACHETOP2ATOP2BTSHRKDM4E
SCHEMBL15651082 0.79 ACHE (0.39) ACHETOP2ATOP2BKDM4ECASP6
SCHEMBL3074715 0.79 CYP3A4 (0.55) ACHETOP2ATOP2BTSHRKDM4E
SCHEMBL790120 0.79 ACHE (0.39) ACHETOP2ATOP2BKDM4ECASP6
SCHEMBL17064613 0.79 CYP4F2 (0.44) ACHETOP2ATOP2BMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081737-A1 POND REACTOR FOR RECOVERY OF METALS CYCAD GROUP, LLC 2022-03-17 US disclosed
US-20210340025-A1 Compositions and Methods for Purification of Metals from Steel Making Waste Streams CYCAD GROUP, LLC 2021-11-04 US disclosed
EP-3853177-A1 COMPOSITIONS AND METHODS FOR PURIFICATION OF METALS FROM STEEL MAKING WASTE STREAMS Lixivia, Inc. (US) 2021-07-28 EP disclosed
CN-113165897-A Compositions and methods for purifying metals from steelmaking waste streams 里克希维亚有限公司 2021-07-23 CN disclosed
WO-2020131958-A1 POND REACTOR FOR RECOVERY OF METALS Lixivia, Inc. (US) 2020-06-25 WO disclosed
US-20180223392-A1 COMPOSITIONS AND METHODS FOR RECOVERY OF ALKALINE METALS CYCAD GROUP, LLC 2018-08-09 US disclosed
US-8088941-B2 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2012-01-03 US disclosed
US-20080312188-A1 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2008-12-18 US disclosed
US-20080176889-A1 9-anilinoacridine alkylating agents ACADEMIA SINICA (TW) 2008-07-24 US disclosed
US-7378432-B2 Glycogen synthase kinase-3 inhibitors TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2008-05-27 US disclosed
EP-1824468-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS Tel Aviv University Future Technology Development L.P. (IL) 2007-08-29 EP disclosed
WO-2006054298-A2 GLYCOGEN SYNTHASE KINASE-3 INHIBITORS TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. (IL) 2006-05-26 WO disclosed
US-20060069066-A1 3-(4-(3-guanidinophenyl)-1,2,3-triazol-1-yl)benzyl phosphoric acid hydrochloride; obesity, non-insulin dependent diabetes mellitus, insulin-dependent condition, affective disorder, neurodegenerative diseases, psychotic disease; compounds having hydrophobic moiety to a terminus of a peptide GSK-3 TEL AVIV UNIVERSITY FUTURE TECHNOLOGY DEVELOPMENT L.P. 2006-03-30 US disclosed
US-6750223-B2 TO INHIBIT THE GROWTH OF A VARIETY OF TUMOR/CANCER CELLS, ESPECIALLY LEUKEMIA, COLON, MELANOMA, AND BREAST CANCER CELLS KAOHSIUNG MEDICAL UNIVERSITY (TW) 2004-06-15 US disclosed
US-20040072856-A1 4-ANILINO[2,3-b]QUINOLINE DERIVATIVES,THEIR PREPARATION PROCECC ANDPHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KAOHSIUNG MEDICAL UNIVERSITY (TW) 2004-04-15 US disclosed
US-6072046-A SELECTIVELY FORM TRIPLEXES WITH A COMPLEMENTARY TARGET SEQUENCE IN DOUBLE-STRANDED DNA AND EFFICIENTLY CROSSLINK WITH BOTH STRANDS; THERAPEUTICS, DIAGNOSTICS, AND GENETIC PROBES EPOCH PHARMACEUTICALS, INC. (US) 2000-06-06 US disclosed
WO-2000012523-A1 DIAZIRIDINYL-ARYL AND BIS-[DI(CHLOROETHYL)AMINO]-ARYL OLIGONUCLEOTIDE CONJUGATES AND REAGENTS FOR MAKING THE SAME EPOCH PHARMACEUTICALS, INC. (US) 2000-03-09 WO disclosed
US-5939428-A ANTITUMOR AGENTS AND ANTIGROWTH AGENTS FOR CELLS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 1999-08-17 US disclosed
US-5354864-A Antitumor agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-10-11 US disclosed
WO-1993023049-A1 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-25 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-20060069066-A1 3-(4-(3-guanidinophenyl)-1,2,3-triazol-1-yl)benzyl phosphoric acid hydrochloride; obesity, non-insulin dependent diabetes mellitus, insulin-dependent condition, affective disorder, neurodegenerative diseases, psychotic disease; compounds having hydrophobic moiety to a terminus of a peptide GSK-3 GSK3A, GSK3B, PYGB ACHE 2318/4885TOP2A 4652/4885TOP2B 4485/4885
US-20040072856-A1 4-ANILINO[2,3-b]QUINOLINE DERIVATIVES,THEIR PREPARATION PROCECC ANDPHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ADRA2C, CYP4B1, NQO2 ACHE 301/4885TOP2A 1561/4885TOP2B 908/4885
US-20080312188-A1 Glycogen synthase kinase-3 inhibitors GSK3B, GSK3A, GSKIP ACHE 1890/4885TOP2A 1587/4885TOP2B 1572/4885
US-20080176889-A1 9-anilinoacridine alkylating agents BCL9, MCL1, BCL9L ACHE 2396/4885TOP2A 5/4885TOP2B 7/4885

“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.