Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3736737

COc1ccc(N)c(N)n1.Cl.Cl

nearest known ligand 0.40

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
ADRA2B known ✓ P18089 1/20 0.33
PTGS1 known ✓ P23219 1/20 0.33
GAA known ✓ P10253 1/20 0.32
NNMT P40261 3/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
ALDH1A1 P00352 8/20 0.38
CYP3A4 P08684 3/20 0.38
TDP1 Q9NUW8 5/20 0.37
POLB P06746 1/20 0.37
EP300 Q09472 1/20 0.36
KAT8 Q9H7Z6 1/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33

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 SCHEMBL30078498 1.00 NNMT (0.40) NNMTSIRT2SIRT1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL3338097 1.00 NNMT (0.40) NNMTSIRT2SIRT1ALDH1A1CYP3A4
SCHEMBL29424844 0.98 NNMT (0.41) NNMTSIRT2SIRT1ALDH1A1CYP3A4
SCHEMBL126903 0.98 NNMT (0.41) NNMTSIRT2SIRT1ALDH1A1CYP3A4
SCHEMBL13657692 0.83 NNMT (0.40) NNMTSIRT2SIRT1
Hydrochloric Acid SCHEMBL930533 0.80 POLB (0.48) NNMTSIRT2SIRT1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL30294545 0.80 NNMT (0.52) NNMTSIRT2SIRT1ALDH1A1CYP3A4
SCHEMBL6027123 0.79 TXNRD1 (0.51) RAB9AMAPT
SCHEMBL27235504 0.79 NNMT (0.46) NNMTSIRT2SIRT1ALDH1A1TDP1
Hydrochloric Acid SCHEMBL30294787 0.78 NNMT (0.38) NNMTSIRT2SIRT1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256295-B2 Process for producing 2,3-diamino-6-methoxypyridine JUBILANT ORGANOSYS LIMITED (IN) 2007-08-14 US claimed
US-20060080790-A1 Process for producing 2,3-diamino-6-methoxypyridine JUBILANT ORGANOSYS LIMITED (IN) 2006-04-20 US claimed
EP-2940000-B1 PROCESS FOR PREPARING METHYL ACETATE DALIAN INST CHEMICAL PHYSICS CAS (CN) 2017-10-18 EP disclosed
US-9440226-B2 Method for preparing methyl acetate DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-13 US disclosed
EP-2940000-A1 PROCESS FOR PREPARING METHYL ACETATE Dalian Institute Of Chemical Physics, Chinese Academy of Sciences (CN) 2015-11-04 EP disclosed
US-20150298108-A1 METHOD FOR PREPARING METHYL ACETATE DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2015-10-22 US disclosed
US-8273890-B2 Thiophene-imidazopyridines 4SC AG (DE) 2012-09-25 US disclosed
US-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2010-11-04 US disclosed
EP-2017277-A1 Thiophene-imidazopyridines 4SC AG (DE) 2009-01-21 EP disclosed
WO-2009003911-A1 THIOPHENE-IMIDAZOPYRIDINES 4SC AG (DE) 2009-01-08 WO disclosed
US-7256295-B2 Process for producing 2,3-diamino-6-methoxypyridine JUBILANT ORGANOSYS LIMITED (IN) 2007-08-14 US disclosed
US-7256295-B2 Process for producing 2,3-diamino-6-methoxypyridine JUBILANT ORGANOSYS LIMITED (IN) 2007-08-14 US disclosed
US-20060080790-A1 Process for producing 2,3-diamino-6-methoxypyridine JUBILANT ORGANOSYS LIMITED (IN) 2006-04-20 US disclosed
US-20060080790-A1 Process for producing 2,3-diamino-6-methoxypyridine JUBILANT ORGANOSYS LIMITED (IN) 2006-04-20 US disclosed
US-4722929-A Novel 2-phenyl-imidazoles and pharmaceutical compositions containing same DR. KARL THOMAE GMBH (DE) 1988-02-02 US disclosed
EP-0149200-A1 Novel 2-pnenyl-imidazoles, their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1985-07-24 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 (3 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-20150298108-A1 METHOD FOR PREPARING METHYL ACETATE EHMT2, EHMT1, DNMT1 ADRA2B 1598/4885PTGS1 2456/4885GAA 2433/4885
US-20100278833-A1 THIOPHENE-IMIDAZOPYRIDINES PIKFYVE, PIP4K2B, PIP5K1B ADRA2B 3727/4885PTGS1 1885/4885GAA 1444/4885
US-20060080790-A1 Process for producing 2,3-diamino-6-methoxypyridine TET2, QDPR, PNMT ADRA2B 507/4885PTGS1 2933/4885GAA 1321/4885

“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.