Hydrochloric Acid

Hydrochloric Acid

SCHEMBL14159641

Cl.NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1.Nc1ccc(CC(=O)O)cc1

nearest known ligand 0.72

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 9)

geneUniProtsupporting neighboursconfidence
KLKB1 known ✓ P03952 7/20 0.72
PRSS1 P07477 2/20 0.72
PRSS2 P07478 2/20 0.72
PRSS3 P35030 2/20 0.72
F11 P03951 15/20 0.56
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PLG P00747 2/20 0.55
PLAU P00749 1/20 0.55

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 SCHEMBL19988160 1.00 KLKB1 (0.72) KLKB1PRSS1PRSS2PRSS3F11
Hydrochloric Acid SCHEMBL19988159 1.00 KLKB1 (0.72) KLKB1PRSS1PRSS2PRSS3F11
Hydrochloric Acid SCHEMBL14159640 1.00 KLKB1 (0.72) KLKB1PRSS1PRSS2PRSS3F11
SCHEMBL7066980 0.99 KLKB1 (0.73) KLKB1PRSS1PRSS2PRSS3F11
SCHEMBL7066988 0.99 KLKB1 (0.73) KLKB1PRSS1PRSS2PRSS3F11
Aminobenzoic Acid SCHEMBL7267215 0.90 KLKB1 (0.62) KLKB1PRSS1PRSS2PRSS3F11
Hydrochloric Acid SCHEMBL7268849 0.88 KLKB1 (0.60) KLKB1PRSS1PRSS2PRSS3F11
Hydrochloric Acid SCHEMBL7266461 0.88 KLKB1 (0.60) KLKB1PRSS1PRSS2PRSS3F11
Hydrochloric Acid SCHEMBL10425426 0.86 KLKB1 (0.64) KLKB1PRSS1PRSS2PRSS3F11
SCHEMBL6450462 0.86 KLKB1 (0.74) KLKB1PRSS1PRSS2PRSS3F11

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3320922-A1 METHODS FOR MODULATING KALLIKREIN (KLKB1) EXPRESSION Ionis Pharmaceuticals, Inc. (US) 2018-05-16 EP disclosed
EP-2717923-B1 METHODS FOR MODULATING KALLIKREIN (KLKB1) EXPRESSION IONIS PHARMACEUTICALS INC (US) 2017-09-27 EP disclosed
US-9322021-B2 Methods for modulating kallikrein (KLKB1) expression IONIS PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-9315811-B2 Methods for modulating kallikrein (KLKB1) expression IONIS PHARMACEUTICALS, INC. (US) 2016-04-19 US disclosed
US-20140213631-A1 METHODS FOR MODULATING KALLIKREIN (KLKB1) EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2014-07-31 US disclosed
US-20140206745-A1 METHODS FOR MODULATING KALLIKREIN (KLKB1) EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2014-07-24 US disclosed
EP-2726153-A1 METHODS FOR MODULATING KALLIKREIN (KLKB1) EXPRESSION Isis Pharmaceuticals, Inc. (US) 2014-05-07 EP disclosed
EP-2717923-A2 METHODS FOR MODULATING KALLIKREIN (KLKB1) EXPRESSION Isis Pharmaceuticals, Inc. (US) 2014-04-16 EP disclosed
WO-2013003808-A1 METHODS FOR MODULATING KALLIKREIN (KLKB1) EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2013-01-03 WO disclosed
WO-2012170945-A2 METHODS FOR MODULATING KALLIKREIN (KLKB1) EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2012-12-13 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 (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-20140206745-A1 METHODS FOR MODULATING KALLIKREIN (KLKB1) EXPRESSION KLKB1, KLK1, KLK2 KLKB1 1/4885PRSS1 107/4885PRSS2 403/4885
US-20140213631-A1 METHODS FOR MODULATING KALLIKREIN (KLKB1) EXPRESSION KLKB1, KLK1, KLK2 KLKB1 1/4885PRSS1 58/4885PRSS2 271/4885

“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.