Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1877856

Cl.NCC1OC(c2ccccc2)Cc2c1ccc(O)c2O

nearest known ligand 0.97

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 17)

geneUniProtsupporting neighboursconfidence
DRD1 known ✓ P21728 13/20 0.97
ADRA2A known ✓ P08913 2/20 0.77
ADRA2B known ✓ P18089 2/20 0.77
ADRA2C known ✓ P18825 2/20 0.77
ADRA1D known ✓ P25100 2/20 0.77
HTR2C known ✓ P28335 2/20 0.77
ADRA1A known ✓ P35348 2/20 0.77
ADRA1B known ✓ P35368 2/20 0.77
KDM4E B2RXH2 1/20 0.97
TP53 P04637 1/20 0.97
CYP1A2 P05177 1/20 0.97
CYP3A4 P08684 1/20 0.97
CYP2D6 P10635 1/20 0.97
MAPT P10636 1/20 0.97
CYP2C9 P11712 1/20 0.97
CYP2C19 P33261 1/20 0.97
HSD17B10 Q99714 1/20 0.97

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 SCHEMBL31018036 1.00 DRD1 (0.97) DRD1KDM4ETP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1877854 1.00 DRD1 (0.97) DRD1KDM4ETP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1877853 1.00 DRD1 (0.97) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL19464266 0.99 DRD1 (1.00) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL10380334 0.99 DRD1 (1.00) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL7447363 0.99 DRD1 (1.00) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL27075590 0.99 DRD1 (1.00) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL31018017 0.99 DRD1 (1.00) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL399278 0.99 DRD1 (1.00) DRD1KDM4ETP53CYP1A2CYP3A4
SCHEMBL30734435 0.99 DRD1 (1.00) DRD1KDM4ETP53CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2806276-A1 Method for post mortem diagnosis of Alzheimer's Disease (AD) Red Bull GmbH (AT) 2014-11-26 EP claimed
EP-1917277-A4 KILLING HUMAN LYMPHOMA AND LEUKEMIA CANCER CELLS AND TCR-ACTIVATED NORMAL HUMAN CELLS BY DOPAMINE D1R AGONISTS LEVITE MIA (IL) 2009-08-05 EP claimed
US-20080311657-A1 Killing Human Lymphoma and Leukemia Cancer Cells and Tcr-Activated Normal Human Cells By Dopamine D1r Agonists LEVITE MIA 2008-12-18 US claimed
EP-1917277-A2 KILLING HUMAN LYMPHOMA AND LEUKEMIA CANCER CELLS AND TCR-ACTIVATED NORMAL HUMAN CELLS BY DOPAMINE D1R AGONISTS Mineuet Therapeutics Ltd. (IL) 2008-05-07 EP claimed
WO-2007019266-A2 KILLING HUMAN LYMPHOMA AND LEUKEMIA CANCER CELLS AND TCR-ACTIVATED NORMAL HUMAN CELLS BY DOPAMINE D1R AGONISTS MINEUET THERAPEUTICS LTD. (IL) 2007-02-15 WO claimed
EP-2806276-A1 Method for post mortem diagnosis of Alzheimer's Disease (AD) Red Bull GmbH (AT) 2014-11-26 EP disclosed
US-8859001-B2 Fenoldopam formulations and pro-drug derivatives LEVITE MIA (IL) 2014-10-14 US disclosed
US-20110104287-A1 FENOLDOPAM FORMULATIONS AND PRO-DRUG DERIVATIVES LEVITE MIA 2011-05-05 US disclosed
WO-2009052491-A2 FENOLDOPAM FORMULATIONS AND PRODRUG DERIVATIVES GERAGHTY, ERIN (US) 2009-04-23 WO disclosed
US-20080311657-A1 Killing Human Lymphoma and Leukemia Cancer Cells and Tcr-Activated Normal Human Cells By Dopamine D1r Agonists LEVITE MIA 2008-12-18 US disclosed
US-20060039867-A1 Method for treating sleep-related breathing disorders with setiptiline CYPRESS BIOSCIENCE, INC. 2006-02-23 US disclosed
US-5766556-A SUITABLE ENVIRONMENT FOR SIMULTANEOUS SYNTHESIS OF ORGANIC COMPOUNDS, INORGANIC COMPOUNDS AND ORGANOMETALLIC COMPOUNDS WARNER-LAMBERT COMPANY (US) 1998-06-16 US disclosed
US-5582801-A HAVING PLURALITY OF REACTION TUBES WITH FILTERS ON LOWER ENDS, RESERVOIR WITH MEANS FOR RECEIVING FILTERS, HOLDER FOR SUPPORTING TUBES, MANIFOLD ENCLOSING UPPER ENDS, FASTENERS HOLDING TOGETHER HOLDER AND MANIFOLD, HOLDER AND RESERVOIR WARNER-LAMBERT COMPANY (US) 1996-12-10 US disclosed
US-5567391-A MULTICOMPARTMENT CHEMICAL REACTORS WARNER-LAMBERT COMPANY (US) 1996-10-22 US disclosed
US-5565173-A USED FOR SOLID-PHASE SYNTHESIS WARNER-LAMBERT COMPANY (US) 1996-10-15 US disclosed
WO-1996030393-A1 A METHOD FOR THE SYNTHESIS OF MIXTURES OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1996-10-03 WO disclosed
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP disclosed
US-5324483-A Apparatus for multiple simultaneous synthesis WARNER-LAMBERT COMPANY (US) 1994-06-28 US disclosed
WO-1990015056-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1990-12-13 WO disclosed
US-4963568-A TREATMENT OF PARKINSON*S DISEASE, CARDIOVASCULAR DISORDERS ABBOTT LABORATORIES (US) 1990-10-16 US 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-20110104287-A1 FENOLDOPAM FORMULATIONS AND PRO-DRUG DERIVATIVES NAPEPLD, PNLIP, NPSR1 DRD1 87/4885ADRA2A 115/4885ADRA2B 72/4885
US-20060039867-A1 Method for treating sleep-related breathing disorders with setiptiline SETD1A, SETD7, SETD2 DRD1 583/4885ADRA2A 1622/4885ADRA2B 1631/4885

“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.