Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1187702

CCn1ccnc1CO.Cl

nearest known ligand 0.47

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
KCNH2 known ✓ Q12809 1/20 0.40
ADRA2B known ✓ P18089 1/20 0.40
GAA known ✓ P10253 1/20 0.40
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38
ALPG P10696 2/20 0.38
TLR8 Q9NR97 1/20 0.38
ALPL P05186 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2647561 0.98
Hydrochloric Acid SCHEMBL20262982 0.83 ALPG (0.46) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL2455030 0.82 GAA (0.42) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL5656069 0.82 ALDH1A1 (0.44) KMT2AALDH1A1HTTKCNH2ALPG
SCHEMBL464450 0.80
SCHEMBL8026054 0.80
Hydrochloric Acid SCHEMBL859695 0.79 KMT2A (0.42) KMT2AMEN1ALDH1A1HTTCYP1A2
Hydrochloric Acid SCHEMBL1366290 0.79 KMT2A (0.42) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL23044738 0.79 ALPG (0.44) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL5655366 0.79 ALDH1A1 (0.59) KMT2AALDH1A1HTTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888356-B2 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2011-02-15 US disclosed
CN-101928295-A Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS INC 2010-12-29 CN disclosed
US-7652000-B2 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
EP-2044091-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE Anacor Pharmaceuticals, Inc. (US) 2009-04-08 EP disclosed
US-20080293675-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTCALS INC. (US) 2008-11-27 US disclosed
EP-1980564-A1 Antibiotics containing borinic acid complexes and methods of use Anacor Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
US-7393856-B2 Anti-viral uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. (US) 2008-07-01 US disclosed
US-7390806-B2 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2008-06-24 US disclosed
US-20080146803-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. 2008-06-19 US disclosed
EP-1581500-A4 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTICALS INC (US) 2008-03-05 EP disclosed
US-20060019927-A1 Anti-viral uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2006007384-A2 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2006-01-19 WO disclosed
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-19 US disclosed
US-20060009422-A1 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. 2006-01-12 US disclosed
WO-2005123094-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 WO disclosed
WO-2005123095-A1 ANTI-PARASITIC USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 WO disclosed
EP-1581500-A2 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2005-10-05 EP disclosed
US-20050070503-A1 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. 2005-03-31 US disclosed
US-20040224923-A1 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. 2004-11-11 US disclosed
WO-2004056322-A2 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2004-07-08 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 (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-20040224923-A1 Antibiotics containing borinic acid complexes and methods of use BPGM, BROX, TBCA KCNH2 2124/4885ADRA2B 4247/4885GAA 324/4885
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes BPGM, HRH1, HRH3 KCNH2 1756/4885ADRA2B 3821/4885GAA 325/4885
US-20060009422-A1 Boron-containing compounds and methods of use BROX, BTD, PBDC1 KCNH2 4489/4885ADRA2B 4030/4885GAA 1146/4885
US-20080146803-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE BPGM, BROX, TBCA KCNH2 2124/4885ADRA2B 4247/4885GAA 324/4885
US-20050070503-A1 Antibiotics containing borinic acid complexes and methods of use BPGM, BROX, TBCA KCNH2 2124/4885ADRA2B 4247/4885GAA 324/4885
US-20060019927-A1 Anti-viral uses of borinic acid complexes SSB, BPGM, HAVCR2 KCNH2 2723/4885ADRA2B 4513/4885GAA 230/4885
US-20080293675-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE BPGM, BROX, TBCA KCNH2 2124/4885ADRA2B 4247/4885GAA 324/4885

“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.