Hydrochloric Acid

Hydrochloric Acid

SCHEMBL945972

COC(=O)c1ccc(O)c(N)c1.Cl

nearest known ligand 0.67

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 2/20 0.67
GAA known ✓ P10253 6/20 0.66
GLA known ✓ P06280 1/20 0.66
LCK known ✓ P06239 1/20 0.58
CA12 O43570 2/20 0.67
CA1 P00915 2/20 0.67
CA7 P43166 2/20 0.67
CA9 Q16790 2/20 0.67
CA14 Q9ULX7 2/20 0.67
XDH P47989 2/20 0.67
KDM4E B2RXH2 10/20 0.66
ALDH1A1 P00352 9/20 0.66
MAPT P10636 8/20 0.66
HPGD P15428 7/20 0.66
HSD17B10 Q99714 3/20 0.66
CASP1 P29466 1/20 0.66
CASP7 P55210 1/20 0.66
ATM Q13315 1/20 0.66
LMNA P02545 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64

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 SCHEMBL31119219 1.00 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL24412 0.98 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL29357340 0.98 CA12 (0.69) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL2972630 0.85 CA12 (0.67) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL1223871 0.85 KDM4E (0.70) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL7251305 0.85 KDM4E (0.70) CA12CA1CA2CA7CA9
SCHEMBL140666 0.83 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL29433281 0.83 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL192100 0.82 KDM4E (0.72) CA12CA1CA2CA7CA9
SCHEMBL29375113 0.82 KDM4E (0.72) CA12CA1CA2CA7CA9

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
US-20170073460-A1 POLYETHER KETONE COMPOUND AJINOMOTO CO., INC. (JP) 2017-03-16 US disclosed
US-9458288-B2 Polyester compound AJINOMOTO CO., INC. (JP) 2016-10-04 US disclosed
US-9458289-B2 Polyester compound AJINOMOTO CO., INC. (JP) 2016-10-04 US disclosed
US-20160237215-A1 POLYAMIDE COMPOUND AJINOMOTO CO., INC. (JP) 2016-08-18 US disclosed
US-20160024247-A1 POLYESTER COMPOUND AJINOMOTO CO., INC. (JP) 2016-01-28 US disclosed
US-20160024248-A1 POLYESTER COMPOUND AJINOMOTO CO., INC. (JP) 2016-01-28 US disclosed
US-20120095386-A9 COMPOSITION AND DEVICE STRUCTURE FOR IONTOPHORESIS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2012-04-19 US disclosed
US-8155738-B2 Composition and device structure for iontophoresis HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2012-04-10 US disclosed
US-20110021972-A1 Composition and Device Structure For Iontophoresis HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2011-01-27 US disclosed
EP-1442028-A1 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD Bristol-Myers Squibb Company (US) 2004-08-04 EP disclosed
US-20040071765-A1 Composition and device structure for iontophoresis HISAMITSU PHARMACEUTICAL CO., LTD. 2004-04-15 US disclosed
US-6673815-B2 MODULATE BLOOD GLUCOSE LEVELS, TRIGLYCERIDE LEVELS, INSULIN LEVELS AND NON-ESTERIFIED FATTY ACID LEVELS BRISTOL-MYERS SQUIBB COMPANY 2004-01-06 US disclosed
US-20030130306-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY 2003-07-10 US disclosed
WO-2003040114-A1 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 WO disclosed
EP-1177813-A1 IONTOPHORESIS DEVICE HISAMITSU PHARMACEUTICAL CO. INC. (JP) 2002-02-06 EP disclosed
EP-1080731-A2 Composition and device structure for iontophoresis HISAMITSU PHARMACEUTICAL CO. INC. (JP) 2001-03-07 EP 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 (4 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-20110021972-A1 Composition and Device Structure For Iontophoresis ASIC1, AQP1, PIEZO1 CA2 725/4885GAA 3873/4885GLA 4171/4885
US-20040071765-A1 Composition and device structure for iontophoresis ASIC1, AQP1, PIEZO1 CA2 626/4885GAA 4038/4885GLA 3940/4885
US-20030130306-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, GCGR CA2 1297/4885GAA 13/4885GLA 138/4885
US-20120095386-A9 COMPOSITION AND DEVICE STRUCTURE FOR IONTOPHORESIS ASIC1, AQP1, PIEZO1 CA2 725/4885GAA 3873/4885GLA 4171/4885

“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.