Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4226728

Cl.NCC(F)c1ccccc1

nearest known ligand 0.56

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 13)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 3/20 0.56
SLC6A2 known ✓ P23975 2/20 0.48
SLC6A4 known ✓ P31645 2/20 0.48
SLC6A3 known ✓ Q01959 2/20 0.48
HRH1 known ✓ P35367 2/20 0.46
DPP4 known ✓ P27487 2/20 0.42
TAAR1 Q96RJ0 4/20 0.56
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
F2 P00734 1/20 0.42

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
SCHEMBL479328 0.97 TAAR1 (0.59) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL10159564 0.97 TAAR1 (0.59) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
Iodide SCHEMBL28728555 0.95 TAAR1 (0.56) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL28587464 0.89 TAAR1 (0.50) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL27814331 0.82 TAAR1 (0.44) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7970943 0.81 HRH1 (0.60) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL4672668 0.78 HRH1 (0.62) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL22620835 0.78 HRH1 (0.62) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL5189954 0.78 HRH1 (0.62) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL6287110 0.78 TAAR1 (0.48) TAAR1HTR2ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2650286-A1 Quinazoline derivatives and therapeutic use thereof Rexahn Pharmaceuticals, Inc. (US) 2013-10-16 EP disclosed
US-8404698-B2 Quinazoline derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20090030021-A1 Quinazoline Derivatives and Therapeutic Use Thereof REXAHN PHARMACEUTICALS, INC. (US) 2009-01-29 US disclosed
US-7388014-B2 Quinazoline derivatives and therapeutic use thereof REXAHN PHARMACEUTICALS, INC. (US) 2008-06-17 US disclosed
EP-1720841-A2 QUINAZOLINE DERIVATIVES AND THERAPEUTIC USE THEREOF REXAHN CORPORATION (US) 2006-11-15 EP disclosed
WO-2005080352-A2 QUINAZOLINE DERIVATIVES AND THERAPEUTIC USE THEREOF REXAHN CORPORATION (US) 2005-09-01 WO disclosed
US-20050187231-A1 Quinazoline derivatives and therapeutic use thereof REXAHAN CORPORATION (US) 2005-08-25 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-20090030021-A1 Quinazoline Derivatives and Therapeutic Use Thereof ABL1, NQO2, NRAS HTR2A 3196/4885SLC6A2 956/4885SLC6A4 1686/4885
US-20050187231-A1 Quinazoline derivatives and therapeutic use thereof ABL1, NQO2, NRAS HTR2A 3321/4885SLC6A2 1133/4885SLC6A4 1867/4885

“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.