Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3207428

CC(C)NCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1.Cl

nearest known ligand 0.77

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
ADRB2 known ✓ P07550 5/20 0.77
ADRB1 known ✓ P08588 3/20 0.51
GAA known ✓ P10253 2/20 0.51
ADRB3 known ✓ P13945 2/20 0.49
DRD2 known ✓ P14416 1/20 0.49
DRD4 known ✓ P21917 1/20 0.49
ADRA1D known ✓ P25100 1/20 0.49
ADRA1A known ✓ P35348 1/20 0.49
ADRA1B known ✓ P35368 1/20 0.49
DRD3 known ✓ P35462 1/20 0.49
PDE3A known ✓ Q14432 1/20 0.49
HIF1A Q16665 4/20 0.74
LMNA P02545 3/20 0.74
CYP3A4 P08684 3/20 0.74
ALDH1A1 P00352 2/20 0.74
SLC22A3 O75751 1/20 0.53
MAPT P10636 5/20 0.51
KDM4E B2RXH2 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
TSHR P16473 4/20 0.51

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
SCHEMBL11526980 0.99 HIF1A (0.76) ADRB2HIF1ALMNACYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL11283969 0.87 ADRB2 (0.59) ADRB2HIF1ALMNACYP3A4ALDH1A1
Dipivefrin SCHEMBL41351 0.87 ADRB2 (1.00) ADRB2HIF1ALMNACYP3A4ALDH1A1
Dipivefrin SCHEMBL18687014 0.87 ADRB2 (1.00) ADRB2HIF1ALMNACYP3A4ALDH1A1
Dipivefrin SCHEMBL5275338 0.87 ADRB2 (1.00) ADRB2HIF1ALMNACYP3A4ALDH1A1
Dipivefrin SCHEMBL41350 0.87 ADRB2 (1.00) ADRB2HIF1ALMNACYP3A4ALDH1A1
Dipivefrin SCHEMBL8071336 0.87 ADRB2 (1.00) ADRB2HIF1ALMNACYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL11275253 0.86 ADRB2 (0.79) ADRB2HIF1ALMNACYP3A4ALDH1A1
SCHEMBL11283973 0.85 HIF1A (0.58) ADRB2HIF1ALMNACYP3A4ALDH1A1
Dipivefrin SCHEMBL20673238 0.85 HIF1A (1.00) ADRB2HIF1ALMNACYP3A4ALDH1A1

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-2117524-B1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NAT RES COUNCIL CANADA (CA) 2019-08-14 EP disclosed
US-20170027889-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-02-02 US disclosed
US-20170027888-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-02-02 US disclosed
US-9351947-B2 Use of catecholamines and related compounds as anti-angiogenic agents NATIONAL RESEARCH COUNCIL OF CANADA 2016-05-31 US disclosed
US-20110060045-A1 ANTI-DIABETIC CATARACT COMPOUNDS AND THEIR USES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2011-03-10 US disclosed
US-20100069401-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2010-03-18 US disclosed
EP-2117524-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS National Research Council of Canada (CA) 2009-11-18 EP disclosed
EP-2001833-A1 ANTI-DIABETIC CATARACT COMPOUNDS AND THEIR USES National Research Council of Canada (CA) 2008-12-17 EP disclosed
WO-2008092257-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2008-08-07 WO disclosed
WO-2007109882-A1 ANTI-DIABETIC CATARACT COMPOUNDS AND THEIR USES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2007-10-04 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 (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-20170027888-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS ADRB3, ADRB1, ADRA1D ADRB2 4/4885ADRB1 2/4885GAA 4603/4885
US-20110060045-A1 ANTI-DIABETIC CATARACT COMPOUNDS AND THEIR USES INSR, GPR119, ADRB1 ADRB2 13/4885ADRB1 3/4885GAA 1875/4885
US-20170027889-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS SLC6A2, VEGFA, COMT ADRB2 7/4885ADRB1 4/4885GAA 842/4885
US-20100069401-A1 USE OF CATECHOLAMINES AND RELATED COMPOUNDS AS ANTI-ANGIOGENIC AGENTS ADRB2, ADRB1, SLC6A2 ADRB2 1/4885ADRB1 2/4885GAA 531/4885

“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.