Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5534014

COc1ccc(C2=C3C=CC(=N3)C(c3ccc(OC)cc3)=C3C=CC(=N3)C(c3ccc(OC)cc3)=C3C=CC(=N3)C(c3ccc(OC)cc3)=C3C=CC2=N3)cc1.Cl

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
▸ CA2 known ✓ P00918 1/20 0.41
▸ ESR2 known ✓ Q92731 1/20 0.39
▸ SCN4A known ✓ P35499 1/20 0.37
▸ MAOB known ✓ P27338 1/20 0.37
▸ ME2 P23368 1/20 0.42
▸ ME1 P48163 1/20 0.42
▸ ME3 Q16798 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ APP P05067 1/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP3A4 P08684 1/20 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 SCHEMBL15769036 0.98 ME2 (0.41) ME2ME1ME3CA12CA1
SCHEMBL1680192 0.98 ME2 (0.43) ME2ME1ME3CA12CA1
SCHEMBL4410281 0.90 ESR2 (0.56) ME2ME1ME3ESR2KDM4E
SCHEMBL11895062 0.83 TNF (0.40) ME2ME1ME3TP53APP
SCHEMBL4266561 0.81 ME2 (0.34) ME2ME1ME3CA12CA1
SCHEMBL498496 0.79 CYP1B1 (0.42) KDM4EMAPTALDH1A1CYP3A4RAB9A
SCHEMBL7261654 0.79 CYP19A1 (0.41) KDM4EMAPTTP53APPTDP1
SCHEMBL17681578 0.79 CASP3 (0.42) MAPTALDH1A1RAB9ANPC1CASP3
SCHEMBL433808 0.77 DYRK1A (0.49) CLK4KDM4EMAPTTP53TDP1
SCHEMBL9718812 0.76 HPGD (0.38) KDM4ETDP1ALDH1A1RAB9AKMT2A

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-9346034-B2 Catalysts free from noble metals suitable for the electrochemical reduction of oxygen UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2016-05-24 — — US disclosed
US-9309274-B2 Redox-active structures and devices utilizing the same YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-04-12 — — US disclosed
US-20150007371-A1 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-01-01 — — US disclosed
US-8865890-B2 Redox-active structures and devices utilizing the same YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2014-10-21 — — US disclosed
US-20140196180-A1 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME YEDA RESEARCH & DEVELOPMENT COMPANY LTD. (IL) 2014-07-10 — — US disclosed
US-20140162869-A1 CATALYSTS FREE FROM NOBLE METALS SUITABLE FOR THE ELECTROCHEMICAL REDUCTION OF OXYGEN FONDAZIONE CASSA DI RESPARMIO DELLE PROVINCE LOMBARDE (IT) 2014-06-12 — — US disclosed
US-8722879-B2 Redox-active structures and devices utilizing the same YEDA RESEARCH & DEVELOPMENT COMPANY LTD. AT THE WEIZMANN INSTITUTE OF SCIENCE (IL) 2014-05-13 — — US disclosed
US-20070258147-A1 Redox-active structures and devices utilizing the same YEDA RESEARCH & DEVELOPMENT CO., LTD. (IL) 2007-11-08 — — US 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-20140196180-A1 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME GPX4, GPX1, LPO CA2 2811/4885ESR2 865/4885SCN4A 1982/4885
US-20150007371-A1 REDOX-ACTIVE STRUCTURES AND DEVICES UTILIZING THE SAME GPX4, GPX1, LPO CA2 2811/4885ESR2 865/4885SCN4A 1982/4885
US-20070258147-A1 Redox-active structures and devices utilizing the same GPX4, GPX1, LPO CA2 2811/4885ESR2 865/4885SCN4A 1982/4885

“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.

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