Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3752804

CC(C)C[C@H](NC(=O)[C@](C)(N)Cc1ccccc1)B1O[C@@H]2CC3C[C@@H](C3(C)C)[C@]2(C)O1.Cl

nearest known ligand 0.66

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
HDAC3 known ✓ O15379 1/20 0.56
HDAC4 known ✓ P56524 1/20 0.56
HDAC1 known ✓ Q13547 1/20 0.56
HDAC7 known ✓ Q8WUI4 1/20 0.56
HDAC2 known ✓ Q92769 1/20 0.56
HDAC10 known ✓ Q969S8 1/20 0.56
HDAC11 known ✓ Q96DB2 1/20 0.56
HDAC8 known ✓ Q9BY41 1/20 0.56
HDAC6 known ✓ Q9UBN7 1/20 0.56
HDAC9 known ✓ Q9UKV0 1/20 0.56
HDAC5 known ✓ Q9UQL6 1/20 0.56
PSMB5 P28074 18/20 0.66
PSEN1 P49768 1/20 0.64
PSEN2 P49810 1/20 0.64
APH1B Q8WW43 1/20 0.64
NCSTN Q92542 1/20 0.64
APH1A Q96BI3 1/20 0.64
PSENEN Q9NZ42 1/20 0.64
PSMB11 A5LHX3 5/20 0.55
PSMD11 O00231 5/20 0.55

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
Hydrochloric Acid SCHEMBL3759269 1.00 PSMB5 (0.66) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL3753371 0.89 PSMB5 (0.66) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL3759184 0.89 PSMB5 (0.66) PSMB5PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL4339493 0.85 PSMB5 (0.61) PSMB5PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL3746894 0.85 PSMB5 (0.61) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL3746274 0.85 PSMB5 (0.65) PSMB5PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL30764680 0.83 PSMB5 (0.80) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL21652548 0.82 PSMB5 (0.81) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL19871620 0.82 PSMB5 (0.81) PSMB5PSEN1PSEN2APH1BNCSTN
SCHEMBL21652528 0.82 PSMB5 (0.81) PSMB5PSEN1PSEN2APH1BNCSTN

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
EP-2212334-B1 PROTEASOME INHIBITORS MILLENNIUM PHARM INC (US) 2012-08-15 EP disclosed
US-7838673-B2 Proteasome inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-11-23 US disclosed
US-20090099132-A1 Proteasome inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-16 US 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-20090099132-A1 Proteasome inhibitors PSMB5, PSMG3, PSMB1 HDAC3 657/4885HDAC4 563/4885HDAC1 437/4885

“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.