Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4501078

Cl.NN(CC(=O)O)c1ccccc1

nearest known ligand 0.45

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 18)

geneUniProtsupporting neighboursconfidence
GLA known ✓ P06280 1/20 0.41
ADRA2C known ✓ P18825 1/20 0.37
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.41
AKR1B1 P15121 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL680475 0.98 NPSR1 (0.44) NPSR1ALDH1A1KMT2ANPC1POLB
SCHEMBL11085642 0.83 CA2 (0.45) ALDH1A1HTTCYP3A4
SCHEMBL5252736 0.83 NPSR1 (0.43) NPSR1ALDH1A1KMT2ANPC1POLB
Hydrochloric Acid SCHEMBL4512905 0.82 KEAP1 (0.39) CYP3A4
SCHEMBL9795580 0.81 SMN1; SMN2 (0.59) SMN1; SMN2
SCHEMBL8781767 0.81 ALDH1A1 (0.44) NPSR1ALDH1A1KMT2ANPC1POLB
SCHEMBL9779961 0.79 KEAP1 (0.40) HTT
SCHEMBL9780001 0.79 KEAP1 (0.53) ALDH1A1KMT2ARAB9AL3MBTL1SMN1; SMN2
SCHEMBL9795712 0.79 KEAP1 (0.40) KMT2ASMN1; SMN2MEN1
SCHEMBL11669414 0.78 ALDH1A1 (0.41) NPSR1ALDH1A1KMT2ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270414-A1 2,3,4,9- TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2009-10-29 US disclosed
EP-1833791-A2 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2007-09-19 EP disclosed
EP-1326648-A4 NOVEL DYES FOR ORGAN FUNCTION MONITORING MALLINCKRODT INC (US) 2007-03-21 EP disclosed
EP-1326649-A4 TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS MALLINCKRODT INC (US) 2007-03-21 EP disclosed
EP-1326602-A4 INDOLE COMPOUNDS AS MINIMALLY PHYSIOLOGIAL FUNCTION MONITIORING AGENTS MALLINCKRODT INC (US) 2007-03-21 EP disclosed
EP-1326650-A4 HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS MALLINCKRODT INC (US) 2006-08-16 EP disclosed
WO-2006070325-A2 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-07-06 WO disclosed
EP-1326651-A4 DYNAMIC ORGAN FUNCTION MONITORING AGENTS MALLINCKRODT INC (US) 2006-01-18 EP disclosed
WO-2005089813-A2 RECEPTOR-AVID EXOGENOUS OPTICAL CONTRAST AND THERAPEUTIC AGENTS MALLINCKRODT INC. (US) 2005-09-29 WO disclosed
EP-1326650-A2 HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS Mallinckrodt Inc. (US) 2003-07-16 EP disclosed
EP-1326648-A1 NOVEL DYES FOR ORGAN FUNCTION MONITORING Mallinckrodt Inc. (US) 2003-07-16 EP disclosed
EP-1326649-A1 TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS MALLINCKRODT INC. (US) 2003-07-16 EP disclosed
EP-1326651-A2 DYNAMIC ORGAN FUNCTION MONITORING AGENTS Mallinckrodt Inc. (US) 2003-07-16 EP disclosed
EP-1326602-A1 INDOLE COMPOUNDS AS MINIMALLY PHYSIOLOGIAL FUNCTION MONITIORING AGENTS MALLINCKRODT INC. (US) 2003-07-16 EP disclosed
WO-2002032421-A1 INDOLE COMPOUNDS AS MINIMALLY PHYSIOLOGIAL FUNCTION MONITIORING AGENTS MALLINCKRODT INC. (US) 2002-04-25 WO disclosed
WO-2002032465-A1 TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS MALLINCKRODT INC. (US) 2002-04-25 WO disclosed
WO-2002032464-A1 NOVEL DYES FOR ORGAN FUNCTION MONITORING MALLINCKRODT INC. (US) 2002-04-25 WO disclosed
WO-2002032285-A2 HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS MALLINCKRODT INC. (US) 2002-04-25 WO disclosed
WO-2002032860-A2 DYNAMIC ORGAN FUNCTION MONITORING AGENTS MALLINCKRODT INC. (US) 2002-04-25 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 (1 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-20090270414-A1 2,3,4,9- TETRAHYDRO-1H-CARBAZOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS HRH2, CRHR2, GRK2 GLA 4294/4885ADRA2C 46/4885NPSR1 202/4885

“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.