Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3046433

Cc1ccccc1CN[C@H](CC(C)C)C(=O)O.Cl

nearest known ligand 0.56

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 10)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.53
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SORT1 Q99523 1/20 0.46
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
ANPEP P15144 2/20 0.44
LMNA P02545 1/20 0.44
MME P08473 1/20 0.44

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
SCHEMBL3039556 0.98 KDM4E (0.55) KDM4EHPGDALDH1A1SORT1HTT
SCHEMBL7140934 0.83 KDM4E (0.54) KDM4EHPGDALDH1A1HTTGAA
Hydrochloric Acid SCHEMBL9697985 0.81 PSMB5 (0.56) ALDH1A1KMT2AANPEPLMNAMME
Hydrochloric Acid SCHEMBL9696963 0.81 PSMB5 (0.56) ALDH1A1KMT2AANPEPLMNAMME
SCHEMBL7398851 0.81 KDM4E (0.51) KDM4EHPGDALDH1A1HTTGAA
SCHEMBL7139605 0.80 KDM4E (0.60) KDM4EHPGDALDH1A1HTTGAA
SCHEMBL3451593 0.80 PSMB5 (0.57) ALDH1A1KMT2AANPEPLMNAMME
SCHEMBL6239035 0.80 KDM4E (0.60) KDM4EHPGDALDH1A1HTTGAA
SCHEMBL3451636 0.80 PSMB5 (0.57) ALDH1A1KMT2AANPEPLMNAMME
SCHEMBL17833228 0.80 PSMB5 (0.57) ALDH1A1KMT2AANPEPLMNAMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7651997-B2 Deoxo-proline-containing tamandarin and didemnin analogs, dehydro-proline-containing tamandarin and didemnin analogs, and methods of making and using them THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-01-26 US disclosed
US-20070129289-A1 Deoxo-proline-containing tamandarin and didemnin analogs, dehydro-proline-containing tamandarin and didemnin analogs, and methods of making and using them THE TRUSEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2007-06-07 US disclosed
EP-1276491-B9 TAMANDARIN AND DIDEMNIN ANALOGS AND METHODS OF MAKING AND USING THEM UNIV PENNSYLVANIA (US) 2007-02-28 EP disclosed
EP-1276491-B1 TAMANDARIN AND DIDEMNIN ANALOGS AND METHODS OF MAKING AND USING THEM UNIV PENNSYLVANIA (US) 2006-09-20 EP disclosed
EP-1276491-A4 TAMANDARIN AND DIDEMNIN ANALOGS AND METHODS OF MAKING AND USING THEM UNIV PENNSYLVANIA (US) 2004-08-25 EP disclosed
EP-1276491-A1 TAMANDARIN AND DIDEMNIN ANALOGS AND METHODS OF MAKING AND USING THEM THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2003-01-22 EP disclosed
WO-2001076616-A1 TAMANDARIN AND DIDEMNIN ANALOGS AND METHODS OF MAKING AND USING THEM THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2001-10-18 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-20070129289-A1 Deoxo-proline-containing tamandarin and didemnin analogs, dehydro-proline-containing tamandarin and didemnin analogs, and methods of making and using them PRAP1, PTMA, DHPS GAA 3023/4885KDM4E 1314/4885HPGD 181/4885

“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.