Hydrochloric Acid

Hydrochloric Acid

SCHEMBL20357239

CCOC(=O)c1cc(CCl)ccn1.Cl

nearest known ligand 0.46

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
GABRA1 known ✓ P14867 7/20 0.44
GABRG2 known ✓ P18507 7/20 0.44
GABRB3 known ✓ P28472 7/20 0.44
GABRA5 known ✓ P31644 7/20 0.44
GABRA3 known ✓ P34903 7/20 0.44
GABRA2 known ✓ P47869 7/20 0.44
GABRA4 known ✓ P48169 7/20 0.44
GABRA6 known ✓ Q16445 7/20 0.44
GABRP known ✓ O00591 6/20 0.44
GABRD known ✓ O14764 6/20 0.44
GABRB1 known ✓ P18505 6/20 0.44
GABRB2 known ✓ P47870 6/20 0.44
GABRE known ✓ P78334 6/20 0.44
GABRG1 known ✓ Q8N1C3 6/20 0.44
GABRG3 known ✓ Q99928 6/20 0.44
GABRQ known ✓ Q9UN88 6/20 0.44
PDE5A known ✓ O76074 1/20 0.42
CYP1A2 P05177 1/20 0.46
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL7008579 0.98 CYP1A2 (0.47) CYP1A2GABRA1GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL29858866 0.84 ALDH1A1 (0.49) CYP1A2GABRA1GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL18397065 0.84 ALDH1A1 (0.49) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL2935704 0.84 CYP1A2 (0.49) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL128612 0.83 CYP1A2 (0.47) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL480291 0.83 CYP4F2 (0.52) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL30740810 0.83 ALDH1A1 (0.50) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL15210649 0.83 ALDH1A1 (0.50) CYP1A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL9602508 0.82 CYP4F2 (0.47) CYP1A2GABRA1GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL4217802 0.81 L3MBTL1 (0.56) CYP1A2GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010117-A1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES, INC. (JP) 2019-01-10 US disclosed
EP-3345892-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 EP 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-20190010117-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, SLC14A1, TMEM164 GABRA1 1283/4885GABRG2 2437/4885GABRB3 2320/4885

“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.