Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4111171

CC(C)COC(=O)Oc1ccc(C[C@H](N)C(N)=O)cc1OC(=O)OCC(C)C.Cl

nearest known ligand 0.50

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 19)

geneUniProtsupporting neighboursconfidence
DRD1 known ✓ P21728 2/20 0.40
ADRB2 known ✓ P07550 1/20 0.40
ADRA2A known ✓ P08913 1/20 0.40
DRD2 known ✓ P14416 1/20 0.40
ADRA2C known ✓ P18825 1/20 0.40
ADRA1A known ✓ P35348 1/20 0.40
DRD3 known ✓ P35462 1/20 0.40
PPARG known ✓ P37231 1/20 0.37
CA2 known ✓ P00918 1/20 0.37
ALOX15 P16050 5/20 0.50
ALDH1A1 P00352 1/20 0.41
LDHA P00338 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
NR1I2 O75469 1/20 0.37
AGTR2 P50052 1/20 0.37
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TPH1 P17752 1/20 0.36

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
SCHEMBL13695356 0.99 ALOX15 (0.51) ALOX15ALDH1A1DRD1ADRB2ADRA2A
SCHEMBL4736189 0.90 ALOX15 (0.50) ALOX15LDHANR1I2PPARGAGTR2
Hydrochloric Acid SCHEMBL4114174 0.88 ALOX15 (0.48) ALOX15ALDH1A1DRD1ADRB2ADRA2A
SCHEMBL13695355 0.87 ALOX15 (0.49) ALOX15ALDH1A1DRD1ADRB2ADRA2A
Hydrochloric Acid SCHEMBL4105694 0.87 ALOX15 (0.48) ALOX15ALDH1A1DRD1ADRB2ADRA2A
Hydrochloric Acid SCHEMBL4113147 0.85 ALOX15 (0.69) ALOX15ALDH1A1DRD1ADRB2ADRA2A
Hydrochloric Acid SCHEMBL4113155 0.85 ALOX15 (0.69) ALOX15ALDH1A1DRD1ADRB2ADRA2A
SCHEMBL13695359 0.85 ALOX15 (0.49) ALOX15ALDH1A1DRD1ADRB2ADRA2A
SCHEMBL1211693 0.84 ALOX15 (0.45) ALOX15ALDH1A1DRD1ADRB2ADRA2A
SCHEMBL1210098 0.84 ALOX15 (0.45) ALOX15ALDH1A1DRD1ADRB2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239941-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2009-09-24 US disclosed
EP-1993995-A1 AMINO ACID DERIVATIVES Proximagen Ltd. (GB) 2008-11-26 EP disclosed
WO-2007104959-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2007-09-20 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-20090239941-A1 AMINO ACID DERIVATIVES DRD2, SLC1A5, DAO DRD1 18/4885ADRB2 174/4885ADRA2A 339/4885

“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.