Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4128836

CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O.Cl

nearest known ligand 0.52

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
▸ EGFR known ✓ P00533 1/20 0.52
▸ LCK known ✓ P06239 1/20 0.52
▸ PTGS1 known ✓ P23219 1/20 0.52
▸ HTR2A known ✓ P28223 1/20 0.52
▸ PTGS2 known ✓ P35354 1/20 0.52
▸ ACE known ✓ P12821 4/20 0.51
▸ CA2 known ✓ P00918 3/20 0.50
▸ OPRM1 known ✓ P35372 2/20 0.48
▸ OPRD1 known ✓ P41143 2/20 0.48
▸ HDAC3 known ✓ O15379 1/20 0.46
▸ HDAC4 known ✓ P56524 1/20 0.46
▸ HDAC1 known ✓ Q13547 1/20 0.46
▸ HDAC7 known ✓ Q8WUI4 1/20 0.46
▸ HDAC2 known ✓ Q92769 1/20 0.46
▸ HDAC10 known ✓ Q969S8 1/20 0.46
▸ HDAC11 known ✓ Q96DB2 1/20 0.46
▸ HDAC8 known ✓ Q9BY41 1/20 0.46
▸ HDAC6 known ✓ Q9UBN7 1/20 0.46
▸ HDAC9 known ✓ Q9UKV0 1/20 0.46
▸ HDAC5 known ✓ Q9UQL6 1/20 0.46

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
SCHEMBL13925358 0.99 KDM4E (0.53) KDM4EUSP2EGFRLCKFYN
Hydrochloric Acid SCHEMBL4109013 0.93 LCK (0.55) KDM4EUSP2EGFRLCKFYN
SCHEMBL13925359 0.92 LCK (0.56) KDM4EUSP2EGFRLCKFYN
Hydrochloric Acid SCHEMBL4117118 0.88 LCK (0.57) KDM4EUSP2EGFRLCKFYN
SCHEMBL13925361 0.87 LCK (0.58) KDM4EUSP2EGFRLCKFYN
Hydrochloric Acid SCHEMBL11454672 0.86 SLC7A5 (0.66) KDM4EUSP2EGFRLCKFYN
SCHEMBL29468059 0.85 MME (0.60) MMEACECPA1ACE2OPRM1
SCHEMBL11792982 0.85 SLC7A5 (0.68) KDM4EUSP2EGFRLCKFYN
SCHEMBL28711871 0.84 FOLH1 (0.57) KDM4EUSP2EGFRLCKFYN
SCHEMBL20540701 0.84 MME (0.53) MMEACECPA1ACE2OPRM1

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-20090036525-A1 Non-Natural Amino Acid Derivatives POXIMAGEN LTD. (GB) 2009-02-05 — — US disclosed
EP-1981839-A1 NON-NATURAL AMINO ACID DERIVATIVES Proximagen Ltd. (GB) 2008-10-22 — — EP disclosed
WO-2007091018-A1 NON-NATURAL AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2007-08-16 — — 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-20090036525-A1 Non-Natural Amino Acid Derivatives CHRNA6, PARK7, CHRNA7 EGFR 817/4885LCK 3375/4885PTGS1 2993/4885

“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.

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