Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3133108

Cc1cc([N+](=O)[O-])ccc1C(=O)O.Cl

nearest known ligand 0.62

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 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
TDP1 Q9NUW8 5/20 0.62
CYP3A4 P08684 3/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 4/20 0.58
MAPT P10636 3/20 0.57
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SORT1 Q99523 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49

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
SCHEMBL33664 0.98 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL2371651 0.98 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL31557927 0.89 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15TSHR
Propylene Oxide SCHEMBL5231764 0.86 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL27909691 0.85 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL1761421 0.85 TDP1 (0.53) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL9098717 0.84 TSHR (0.60) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL30539159 0.84 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL836536 0.84 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL501960 0.84 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4ALOX15TSHR

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
EP-4161904-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF TOLVAPTAN AND ITS DERIVATIVES Cambrex Profarmaco Milano S.r.l. (IT) 2023-04-12 EP disclosed
WO-2021249877-A1 INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF TOLVAPTAN AND ITS DERIVATIVES CAMBREX PROFARMACO MILANO S.R.L. (IT) 2021-12-16 WO disclosed
US-9758658-B2 Enhanced oilfield swellable elastomers and methods for making and using same WELLS FARGO BANK, NATIONAL ASSOCIATION 2017-09-12 US disclosed
US-20130096038-A1 ENHANCED OILFIELD SWELLABLE ELASTOMERS AND METHODS FOR MAKING AND USING SAME WEATHERFORD/LAMB, INC. (US) 2013-04-18 US disclosed
US-7687571-B2 Swellable elastomer-based apparatus, oilfield elements comprising same, and methods of using same in oilfield applications SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2010-03-30 US disclosed
US-7631697-B2 Oilfield apparatus comprising swellable elastomers having nanosensors therein and methods of using same in oilfield application SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2009-12-15 US disclosed
US-20080194717-A1 SWELLABLE ELASTOMER-BASED APPARATUS, OILFIELD ELEMENTS COMPRISING SAME, AND METHODS OF USING SAME IN OILFIELD APPLICATIONS SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2008-08-14 US disclosed
US-20080125335-A1 Oilfield Apparatus Comprising Swellable Elastomers Having Nanosensors Therein And Methods Of Using Same In Oilfield Application SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2008-05-29 US disclosed
US-7373991-B2 Swellable elastomer-based apparatus, oilfield elements comprising same, and methods of using same in oilfield applications SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2008-05-20 US disclosed
US-20070027245-A1 Swellable Elastomer-Based Apparatus, Oilfield Elements Comprising Same, and Methods of Using Same in Oilfield Applications SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2007-02-01 US disclosed
EP-1209185-B1 DIAMINOBENZENE DERIVATIVE, POLYIMIDE OBTAINED THEREFROM, AND LIQUID-CRYSTAL ALIGNMENT FILM NISSAN CHEMICAL IND LTD (JP) 2006-06-14 EP disclosed
US-6740371-B1 EXCELLENT IN UNIFORMITY; DODECYL (3,5-BIS(4-AMINO BENZOYLAMINO)) BENZOATE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-05-25 US disclosed
US-20020183519-A1 Antithrombotic carboxylic acid amides BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-05 US disclosed
EP-1209185-A1 DIAMINOBENZENE DERIVATIVE, POLYIMIDE OBTAINED THEREFROM, AND LIQUID-CRYSTAL ALIGNMENT FILM Nissan Chemical Industries, Ltd. (JP) 2002-05-29 EP disclosed
US-4137228-A HIGH TINCTORIAL STRENGTH, COLORFASTNESS CASSELLA AKTIENGESELLSCHAFT (DE) 1979-01-30 US disclosed
US-4033945-A Water-soluble trisazo 8-amino-naphthol-1 dyes CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-07-05 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 (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-20020183519-A1 Antithrombotic carboxylic acid amides SERPINC1, TFPI, F2 ALDH1A1 83/4885TDP1 1147/4885CYP3A4 716/4885

“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.