Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3159285

Cl.Cl.NC=CNc1cccc2ccccc12

nearest known ligand 0.49

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
GAA known ✓ P10253 3/20 0.47
GRIN2D known ✓ O15399 1/20 0.40
GRIN3B known ✓ O60391 1/20 0.40
GRIN1 known ✓ Q05586 1/20 0.40
GRIN2A known ✓ Q12879 1/20 0.40
GRIN2B known ✓ Q13224 1/20 0.40
GRIN2C known ✓ Q14957 1/20 0.40
GRIN3A known ✓ Q8TCU5 1/20 0.40
SIGMAR1 known ✓ Q99720 1/20 0.40
CA2 known ✓ P00918 1/20 0.39
MMP8 known ✓ P22894 1/20 0.39
ALDH1A1 P00352 6/20 0.49
TSHR P16473 4/20 0.49
HSD17B10 Q99714 4/20 0.49
RECQL P46063 2/20 0.49
KDM4E B2RXH2 6/20 0.47
CA12 O43570 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46

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 SCHEMBL27946264 1.00 ALDH1A1 (0.49) ALDH1A1TSHRHSD17B10RECQLKDM4E
SCHEMBL6696812 0.98 KDM4E (0.48) ALDH1A1TSHRHSD17B10RECQLKDM4E
SCHEMBL1755233 0.77 KEAP1 (0.46) ALDH1A1TSHRHSD17B10RECQLKDM4E
Hydrochloric Acid SCHEMBL28740125 0.76 PABPC1 (0.55) ALDH1A1TSHRHSD17B10RECQLKDM4E
SCHEMBL4652710 0.76 TSHR (0.48) ALDH1A1TSHRHSD17B10RECQLKDM4E
SCHEMBL20715566 0.76 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10RECQLKDM4E
SCHEMBL3072881 0.75 KDM4E (0.59) ALDH1A1HSD17B10KDM4EGAACA12
SCHEMBL3070481 0.75 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10RECQLKDM4E
SCHEMBL3072884 0.75 KDM4E (0.59) ALDH1A1HSD17B10KDM4EGAACA12
SCHEMBL3070479 0.75 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10RECQLKDM4E

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
CN-102687860-A Method for producing aqueous dispersion containing high concentration nano/submicron hydrophobic functional compound FOOD INDUSTRY RES & DEV INST 2012-09-26 CN disclosed
US-7740888-B2 Extracts of passion fruit and uses thereof INDUSTRIAL RESEARCH LIMITED (NZ) 2010-06-22 US disclosed
US-7691423-B2 Method of treating inflammation disorders using extracts of passion fruit INDUSTRIAL RESEARCH LIMITED (NZ) 2010-04-06 US disclosed
US-7687089-B2 Extracts of passion fruit and uses thereof INDUSTRIAL RESEARCH LIMITED (NZ) 2010-03-30 US disclosed
EP-1854470-B1 Method of treating inflammation disorders using extracts of passion fruit IND RES LTD L L C (NZ) 2010-03-03 EP disclosed
WO-2010011591-A1 METHOD OF TREATING INFLAMMATION DISORDERS USING EXTRACTS OF PASSION FRUIT KEMIN FOODS, L.C. (US) 2010-01-28 WO disclosed
EP-1763360-A4 EXTRACTS OF PASSION FRUIT AND USES THEREOF IND RES LTD L L C (NZ) 2009-08-19 EP disclosed
US-20090041878-A1 EXTRACTS OF PASSION FRUIT AND USES THEROF CALLAGHAN INNOVATION (NZ) 2009-02-12 US disclosed
US-20090022832-A1 METHOD OF TREATING INFLAMMATION DISORDERS USING EXTRACTS OF PASSION FRUIT CALLAGHAN INNOVATION (NZ) 2009-01-22 US disclosed
US-20080305194-A1 EXTRACTS OF PASSION FRUIT AND USES THEREOF CALLAGHAN INNOVATION (NZ) 2008-12-11 US disclosed
US-7390517-B2 Extracts of passion fruit and uses thereof CALLAGHAN INNOVATION (NZ) 2008-06-24 US disclosed
EP-1854470-A1 Method of treating inflammation disorders using extracts of passion fruit Industrial Research Limited, L.L.C. (NZ) 2007-11-14 EP disclosed
EP-1763360-A2 EXTRACTS OF PASSION FRUIT AND USES THEREOF Industrial Research Limited, L.L.C. (NZ) 2007-03-21 EP disclosed
US-20060280821-A1 Method of treating inflammation disorders using extracts of passion fruit SOUTHWEST SCIENTIFIC EDITING AND CONSULTING LLC 2006-12-14 US disclosed
US-20060222725-A1 Extracts of passion fruit and uses thereof CALLAGHAN INNOVATION (NZ) 2006-10-05 US disclosed
WO-2005097153-A2 EXTRACTS OF PASSION FRUIT AND USES THEREOF INDUSTRIAL RESEARCH LIMITED, L.L.C. (NZ) 2005-10-20 WO 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 (5 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-20080305194-A1 EXTRACTS OF PASSION FRUIT AND USES THEREOF NOS2, NOS3, NOS1 GAA 2769/4885GRIN2D 3808/4885GRIN3B 2853/4885
US-20060280821-A1 Method of treating inflammation disorders using extracts of passion fruit IL5, IL6, TNF GAA 2437/4885GRIN2D 4737/4885GRIN3B 4360/4885
US-20090041878-A1 EXTRACTS OF PASSION FRUIT AND USES THEROF FABP1, TUFM, NOS3 GAA 2773/4885GRIN2D 2963/4885GRIN3B 2329/4885
US-20090022832-A1 METHOD OF TREATING INFLAMMATION DISORDERS USING EXTRACTS OF PASSION FRUIT IL5, IL6, TNF GAA 2437/4885GRIN2D 4737/4885GRIN3B 4360/4885
US-20060222725-A1 Extracts of passion fruit and uses thereof NOS2, NOS3, NOS1 GAA 2769/4885GRIN2D 3808/4885GRIN3B 2853/4885

“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.