Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4117118

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

nearest known ligand 0.57

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
▸ LCK known ✓ P06239 2/20 0.57
▸ EGFR known ✓ P00533 1/20 0.57
▸ PTGS1 known ✓ P23219 1/20 0.57
▸ HTR2A known ✓ P28223 1/20 0.57
▸ PTGS2 known ✓ P35354 1/20 0.57
▸ CA2 known ✓ P00918 3/20 0.54
▸ ACE known ✓ P12821 10/20 0.52
▸ SLC7A5 Q01650 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ USP2 O75604 1/20 0.57
▸ FYN P06241 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ CA1 P00915 3/20 0.54
▸ MME P08473 9/20 0.52
▸ YARS1 P54577 1/20 0.49

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
SCHEMBL13925361 0.99 LCK (0.58) LCKSLC7A5KDM4EUSP2EGFR
Hydrochloric Acid SCHEMBL11454672 0.91 SLC7A5 (0.66) LCKSLC7A5KDM4EUSP2EGFR
Hydrochloric Acid SCHEMBL4109013 0.90 LCK (0.55) LCKSLC7A5KDM4EUSP2EGFR
SCHEMBL11792982 0.89 SLC7A5 (0.68) LCKSLC7A5KDM4EUSP2EGFR
SCHEMBL13925359 0.89 LCK (0.56) LCKSLC7A5KDM4EUSP2EGFR
Hydrochloric Acid SCHEMBL4128836 0.88 KDM4E (0.52) LCKSLC7A5KDM4EUSP2EGFR
SCHEMBL13925358 0.86 KDM4E (0.53) LCKSLC7A5KDM4EUSP2EGFR
SCHEMBL11446870 0.86 FOLH1 (0.57) LCKSLC7A5KDM4EUSP2EGFR
SCHEMBL11446869 0.86 FOLH1 (0.57) LCKSLC7A5KDM4EUSP2EGFR
SCHEMBL11454560 0.86 FOLH1 (0.57) LCKSLC7A5KDM4EUSP2EGFR

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 LCK 3375/4885EGFR 817/4885PTGS1 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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