Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3738570

Cl.Nc1cncc2nc(-c3ccc(O)c(O)c3)c(-c3ccc(O)c(O)c3)nc12

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 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 known ✓ P07900 1/20 0.34
GAA known ✓ P10253 1/20 0.34
PIK3CG P48736 7/20 0.50
JAK3 P52333 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 1/20 0.39
QDPR P09417 1/20 0.38
APP P05067 1/20 0.37
POLB P06746 2/20 0.36
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
MAPT P10636 2/20 0.35
PPM1B O75688 1/20 0.35
SNCA P37840 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
GRK6 P43250 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL13019162 0.98 PIK3CG (0.51) PIK3CGJAK3ADORA2AADORA1QDPR
SCHEMBL13019022 0.91 PIK3CG (0.45) PIK3CGJAK3ADORA2AADORA1POLB
Hydrochloric Acid SCHEMBL3740156 0.83 PIK3CG (0.46) PIK3CGADORA2AADORA1MAPT
SCHEMBL13019158 0.81 PIK3CG (0.47) PIK3CGADORA2AADORA1MAPT
Hydrochloric Acid SCHEMBL3745102 0.81 PIK3CG (0.55) PIK3CGADORA2AADORA1
SCHEMBL13019167 0.79 PIK3CG (0.56) PIK3CGADORA2AADORA1CYP3A4
Hydrochloric Acid SCHEMBL3732708 0.76 KMT2A (0.46) PIK3CGADORA2AADORA1POLBMAPT
Ammonia Solution, Strong SCHEMBL3776314 0.75 JAK3 (0.41) PIK3CGJAK3ADORA2AADORA1QDPR
SCHEMBL13019159 0.74 KMT2A (0.47) PIK3CGADORA2AADORA1POLBMAPT
Hydrochloric Acid SCHEMBL3737551 0.72 PIK3CG (0.62) PIK3CGJAK3ADORA2AADORA1QDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039683-B1 Vasculostatic agents and methods of use thereof TARGEGEN INC (US) 2012-12-19 EP disclosed
US-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN INC. 2010-11-04 US disclosed
EP-2039683-A2 Vasculostatic agents and methods of use thereof Targegen, Inc. (US) 2009-03-25 EP disclosed
EP-1549614-A4 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN INC (US) 2008-04-16 EP disclosed
US-20070208019-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. 2007-09-06 US disclosed
US-7208493-B2 Vasculostatic agents and methods of use thereof TARGEGEN, INC. (US) 2007-04-24 US disclosed
US-20050282814-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. (US) 2005-12-22 US disclosed
EP-1549614-A2 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF Targegen, Inc. (US) 2005-07-06 EP disclosed
US-20040167198-A1 Vasculostatic agents and methods of use thereof TARGEGEN, INC. 2004-08-26 US disclosed
WO-2004030635-A2 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF TARGEGEN, INC. (US) 2004-04-15 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 (5 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-20100330030-A1 Vasculostatic Agents and Methods of Use Thereof RBP1, RBP4, VCAM1 HSP90AA1 1494/4885GAA 3609/4885PIK3CG 2378/4885
US-20050282814-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 HSP90AA1 1494/4885GAA 3609/4885PIK3CG 2378/4885
US-20070208019-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 HSP90AA1 1494/4885GAA 3609/4885PIK3CG 2378/4885
US-20100278811-A1 VASCULOSTATIC AGENTS AND METHODS OF USE THEREOF RBP1, RBP4, VCAM1 HSP90AA1 1494/4885GAA 3609/4885PIK3CG 2378/4885
US-20040167198-A1 Vasculostatic agents and methods of use thereof RBP1, RBP4, VCAM1 HSP90AA1 1494/4885GAA 3609/4885PIK3CG 2378/4885

“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.