Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2421272

C=CC(Cc1ccccc1)n1ccnc1.Cl

nearest known ligand 0.56

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
▸ CYP19A1 known ✓ P11511 14/20 0.56
▸ HSP90AA1 known ✓ P07900 1/20 0.42
▸ MAOA known ✓ P21397 1/20 0.42
▸ HTR2A known ✓ P28223 1/20 0.42
▸ ADRA1A known ✓ P35348 1/20 0.42
▸ OPRK1 known ✓ P41145 1/20 0.42
▸ KCNH2 known ✓ Q12809 1/20 0.42
▸ CYP17A1 P05093 5/20 0.54
▸ CYP24A1 Q07973 1/20 0.46
▸ CYP3A4 P08684 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ TBXAS1 P24557 1/20 0.44
▸ QPCT Q16769 1/20 0.44
▸ CYP4Z1 Q86W10 1/20 0.44
▸ QPCTL Q9NXS2 1/20 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
SCHEMBL27905027 0.98 CYP19A1 (0.57) CYP19A1CYP17A1CYP24A1CYP3A4MAPT
SCHEMBL28117945 0.85 CYP17A1 (0.49) CYP19A1CYP17A1CYP24A1CYP3A4MAPT
SCHEMBL28178686 0.83 CYP19A1 (0.44) CYP19A1CYP17A1CYP24A1
SCHEMBL27581291 0.79 CYP19A1 (0.60) CYP19A1CYP17A1CYP24A1CYP3A4MAPT
Hydrochloric Acid SCHEMBL28794239 0.78 CYP19A1 (0.59) CYP19A1CYP17A1CYP24A1CYP3A4MAPT
Hydrochloric Acid SCHEMBL9996088 0.78 CYP19A1 (0.59) CYP19A1CYP17A1CYP24A1CYP3A4MAPT
SCHEMBL27862767 0.76 CYP19A1 (0.60) CYP19A1CYP17A1CYP24A1CYP3A4MAPT
SCHEMBL6949625 0.76 CYP19A1 (0.60) CYP19A1CYP17A1CYP24A1CYP3A4MAPT
Hydrochloric Acid SCHEMBL28775270 0.75 CYP17A1 (0.40) CYP19A1CYP17A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL27614865 0.75 CYP17A1 (0.40) CYP19A1CYP17A1CYP3A4MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013162-B2 Water compatible sterically hindered alkoxyamines and hydroxy substituted alkoxyamines CIBA CORPORATION (US) 2011-09-06 — — US disclosed
US-20090202725-A1 Water compatible sterically hindered alkoxyamines and hydroxy substituted alkoxyamines CIBA CORPORATION 2009-08-13 — — US disclosed
US-7550599-B2 Water compatible sterically hindered alkoxyamines and hydroxy substituted alkoxyamines CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-06-23 — — US disclosed
US-20080221332-A1 Hindered Amine salt compounds WOOD MARVIN G 2008-09-11 — — US disclosed
US-7384464-B2 Ink jet and recording material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-06-10 — — US disclosed
EP-1572817-B1 INK-JET INK AND RECORDING MATERIAL CIBA SC HOLDING AG (CH) 2007-03-21 — — EP disclosed
US-20060262149-A1 Ink jet ink and recording material WOOD MERVIN G 2006-11-23 — — US disclosed
WO-2006122888-A1 INK JET INK AND RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-11-23 — — WO disclosed
US-7066990-B2 Ink jet ink and recording material CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-06-27 — — US disclosed
EP-1362083-B1 INK-JET INK AND RECORDING MATERIAL CIBA SC HOLDING AG (CH) 2006-06-14 — — EP disclosed
WO-2002055618-A1 INK-JET INK AND RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-07-18 — — WO disclosed
US-5509957-A STABILIZERS FOR INK JET PRINTING CIBA-GEIGY CORPORATION (US) 1996-04-23 — — US disclosed
US-5489503-A BIS- OR TRIS-2'HYDROXYPHENYLTRIAZINES; PHOTOGRAPHIC MATERIALS, INKS AND RECORDING MATERIALS FOR INK-JET PRINTING AND SURFACE COATINGS CIBA-GEIGY CORP. (US) 1996-02-06 — — US disclosed
US-5261953-A CONTAINING WATER SOLUBLE STABILIZER TO IMPROVE COLORFASTNESS CIBA-GEIGY CORPORATION (US) 1993-11-16 — — US disclosed
US-5124723-A 2-(2'-hydroxyphenyl) benzotriazoles CIBA-GEIGY CORPORATION (US) 1992-06-23 — — US disclosed
US-5096781-A Amine salts or quaternized compounds of 2,4-diphenyl-6-/2-/hydroxyphenyl/-s-triazine derivatives; color- and washfast inks for jet printing and recording CIBA-GEIGY CORPORATION (US) 1992-03-17 — — US disclosed
US-5096489-A 2-hydroxyphenyl-s-triazines CIBA-GEIGY CORPORATION (US) 1992-03-17 — — US disclosed
US-5089050-A Phenol derivatives CIBA-GEIGY CORPORATION (US) 1992-02-18 — — US disclosed
US-5073448-A Containing light stabilizers CIBA-GEIGY CORPORATION (US) 1991-12-17 — — US disclosed
US-4926190-A EMULSIONS CIBA-GEIGY CORPORATION (US) 1990-05-15 — — 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 (2 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-20090202725-A1 Water compatible sterically hindered alkoxyamines and hydroxy substituted alkoxyamines AAAS, IWS1, HTR7 CYP19A1 2554/4885HSP90AA1 135/4885MAOA 214/4885
US-20080221332-A1 Hindered Amine salt compounds SLC7A1, H1-0, SLC3A2 CYP19A1 2216/4885HSP90AA1 2745/4885MAOA 1118/4885

“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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