Hydrochloric Acid

Hydrochloric Acid

SCHEMBL445248

Cl.Cl.NNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1

nearest known ligand 0.34

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 0.32
TTR known ✓ P02766 1/20 0.31
LMNA P02545 3/20 0.34
VCP P55072 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
WRN Q14191 1/20 0.33
HIF1A Q16665 1/20 0.33
WNT3 P56703 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32

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 SCHEMBL562710 1.00 LMNA (0.34) LMNAVCPBACE1BACE2ALDH1A1
SCHEMBL444454 0.98 LMNA (0.34) LMNAVCPBACE1BACE2ALDH1A1
SCHEMBL27627029 0.93 EPHX1 (0.34) LMNAVCPBACE1BACE2ALDH1A1
Trifluoroacetic Acid SCHEMBL30949078 0.89 F11 (0.34) LMNAVCPBACE1BACE2TTR
SCHEMBL15935489 0.87 LMNA (0.33) LMNABACE1BACE2ALDH1A1CYP1A2
SCHEMBL12092098 0.83 LMNA (0.47) LMNAALDH1A1CYP1A2HPGDCYP2C19
Hydrochloric Acid SCHEMBL20485118 0.82 TTR (0.36) LMNAALDH1A1HPGDCYP2C19WNT3
Hydrochloric Acid SCHEMBL25415692 0.81 LMNA (0.44) LMNAVCPBACE1BACE2ALDH1A1
SCHEMBL744123 0.81 SMN1; SMN2 (0.37) BACE1BACE2ALDH1A1CYP1A2HPGD
SCHEMBL16072051 0.81 SMN1; SMN2 (0.37) BACE1BACE2ALDH1A1CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190017959-A1 CHEMICALLY-SENSITIVE SENSOR ARRAY CALIBRATION CIRCUITRY ION TORRENT SYSTEMS INCORPORATED 2019-01-17 US disclosed
US-9927393-B2 Methods and apparatus for measuring analytes Life Technologies Corporation (US) 2018-03-27 US disclosed
US-20180000906-A1 MULTILAMELLAR LIPID VESICLE COMPOSITIONS INCLUDING A CONJUGATED ANAPLASTIC LYMPHOMA KINASE (ALK) VARIANT AND USES THEREOF VEDANTRA PHARMACEUTICALS, INC. (US) 2018-01-04 US disclosed
US-20170246288-A1 MULTILAMELLAR LIPID VESICLE COMPOSITIONS AND METHODS OF USE VEDANTRA PHARMACEUTICALS, INC. (US) 2017-08-31 US disclosed
US-9616020-B2 Lipid vesicle compositions and methods of use MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-04-11 US disclosed
US-9515676-B2 Methods and computer program products for compression of sequencing data Life Technologies Corporation (US) 2016-12-06 US disclosed
US-20160303046-A1 LIPID VESICLE COMPOSITIONS AND METHODS OF USE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-10-20 US disclosed
US-9458502-B2 Methods and apparatus for measuring analytes using large scale FET arrays Life Technologies Corporation (US) 2016-10-04 US disclosed
US-20160061772-A1 METHODS AND APPARATUS FOR MEASURING ANALYTES ION TORRENT SYSTEMS INCORPORATED 2016-03-03 US disclosed
US-9269708-B2 Methods and apparatus for measuring analytes using large scale FET arrays Life Technologies Corporation (US) 2016-02-23 US disclosed
US-20110229529-A1 LIPID VESICLE COMPOSITIONS AND METHODS OF USE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-09-22 US disclosed
US-20110217697-A1 METHODS AND APPARATUS FOR MEASURING ANALYTES USING LARGE SCALE FET ARRAYS Life Technologies Corporation (CA) 2011-09-08 US disclosed
US-20100330155-A1 METHODS AND COMPOSITIONS FOR IMPROVED THERAPEUTIC EFFECTS WITH siRNA FLAGSHIP VENTURES (US) 2010-12-30 US disclosed
US-20100317614-A1 COMPOSITIONS AND METHODS FOR PEST CONTROL MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-16 US disclosed
US-20100282617-A1 METHODS AND APPARATUS FOR DETECTING MOLECULAR INTERACTIONS USING FET ARRAYS ION TORRENT SYSTEMS INCORPORATED (US) 2010-11-11 US disclosed
US-20100137143-A1 METHODS AND APPARATUS FOR MEASURING ANALYTES ION TORRENT SYSTEMS INCORPORATED (US) 2010-06-03 US disclosed
US-20100035247-A1 Heterogeneous Assay of Analytes in Solution Using Polymers U.S. GENOMICS, INC. (US) 2010-02-11 US disclosed
US-7595160-B2 Analyte detection using barcoded polymers U.S. GENOMICS, INC. (US) 2009-09-29 US disclosed
US-20090215032-A1 ANALYTE DETECTION USING BARCODED POLYMERS U.S. GENOMICS, INC. (US) 2009-08-27 US disclosed
US-20080311040-A1 METHODS AND COMPOSITIONS FOR IMPROVED THERAPEUTIC EFFECTS WITH siRNA FLAGSHIP VENTURES (US) 2008-12-18 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 (7 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-20170246288-A1 MULTILAMELLAR LIPID VESICLE COMPOSITIONS AND METHODS OF USE CHMP4B, ABCB4, VMA21 CA2 2192/4885TTR 3387/4885LMNA 3170/4885
US-20110229529-A1 LIPID VESICLE COMPOSITIONS AND METHODS OF USE CHMP4B, LIPA, SGMS2 CA2 3387/4885TTR 447/4885LMNA 617/4885
US-20180000906-A1 MULTILAMELLAR LIPID VESICLE COMPOSITIONS INCLUDING A CONJUGATED ANAPLASTIC LYMPHOMA KINASE (ALK) VARIANT AND USES THEREOF ALK, BCR, PIK3R5 CA2 2931/4885TTR 1574/4885LMNA 3633/4885
US-20080311040-A1 METHODS AND COMPOSITIONS FOR IMPROVED THERAPEUTIC EFFECTS WITH siRNA NSUN3, AGO2, NSUN2 CA2 4326/4885TTR 4112/4885LMNA 1918/4885
US-20100317614-A1 COMPOSITIONS AND METHODS FOR PEST CONTROL MANBA, ENGASE, G6PC1 CA2 976/4885TTR 1128/4885LMNA 1534/4885
US-20160303046-A1 LIPID VESICLE COMPOSITIONS AND METHODS OF USE CHMP4B, LIPA, SGMS2 CA2 3387/4885TTR 447/4885LMNA 617/4885
US-20100330155-A1 METHODS AND COMPOSITIONS FOR IMPROVED THERAPEUTIC EFFECTS WITH siRNA NSUN3, AGO2, NSUN2 CA2 4326/4885TTR 4112/4885LMNA 1918/4885

“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.