Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1300940

Cl.Cl.Cl.NC(Cc1ccccc1)C(O)CN(N)Cc1ccc(-c2ccccn2)cc1

nearest known ligand 0.43

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
OPRK1 known ✓ P41145 2/20 0.43
GHSR known ✓ Q92847 1/20 0.43
DPP4 known ✓ P27487 1/20 0.41
KCNH2 known ✓ Q12809 2/20 0.37
OPRD1 known ✓ P41143 1/20 0.35
PPARG known ✓ P37231 1/20 0.34
UGT1A1 P22309 3/20 0.43
NR1I2 O75469 2/20 0.43
MLNR O43193 1/20 0.43
SLCO2B1 O94956 1/20 0.43
ABCB11 O95342 1/20 0.43
ABCB1 P08183 1/20 0.43
CCKAR P32238 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
GPR88 Q9GZN0 1/20 0.38
CSNK1E P49674 1/20 0.36
TPH1 P17752 1/20 0.35
CETP P11597 1/20 0.35

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 SCHEMBL30018372 1.00 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
Hydrochloric Acid SCHEMBL6156798 1.00 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL2177873 0.99 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL3393562 0.99 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL8152590 0.99 UGT1A1 (0.43) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL2625153 0.88 DPP4 (0.40) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL12595652 0.86 UGT1A1 (0.45) UGT1A1OPRK1NR1I2MLNRSLCO2B1
SCHEMBL17635679 0.86 CYP2D6 (0.56) UGT1A1OPRK1NR1I2MLNRSLCO2B1
Hydrochloric Acid SCHEMBL6444616 0.85 CSNK1E (0.43) OPRK1GPR88CSNK1ELTA4HLAP3
SCHEMBL17635682 0.84 UGT1A1 (0.49) UGT1A1OPRK1NR1I2MLNRSLCO2B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522367-B1 Oligomer-protease inhibitor conjugates NEKTAR THERAPEUTICS (US) 2016-01-20 EP disclosed
US-9107956-B2 Oligomer-protease inhibitor conjugates NEKTAR THERAPEUTICS (US) 2015-08-18 US disclosed
US-9095620-B2 Reagents NEKTAR THERAPEUTICS (US) 2015-08-04 US disclosed
EP-2131865-B1 OLIGOMER-PROTEASE INHIBITOR CONJUGATES NEKTAR THERAPEUTICS (US) 2014-12-17 EP disclosed
EP-2262538-B1 OLIGOMER-AMINO ACID CONJUGATE NEKTAR THERAPEUTICS (US) 2014-12-10 EP disclosed
US-20140045770-A1 OLIGOMER-PROTEASE INHIBITOR CONJUGATES NEKTAR THERAPEUTICS (US) 2014-02-13 US disclosed
US-8598364-B2 Oligomer-protease inhibitor conjugates NEKTAR THERAPEUTICS (US) 2013-12-03 US disclosed
EP-2522367-A1 Oligomer-protease inhibitor conjugates Nektar Therapeutics (US) 2012-11-14 EP disclosed
US-20110269677-A1 Oligomer-Protease Inhibitor Conjugates NEKTAR THERAPEUTICS (US) 2011-11-03 US disclosed
US-20110071093-A1 Novel Reagents NEKTAR THERAPEUTICS (US) 2011-03-24 US disclosed
EP-2262538-A1 OLIGOMER-AMINO ACID AND OLGOMER-ATAZANAVIR CONJUGATES Nektar Therapeutics (US) 2010-12-22 EP disclosed
US-20100184989-A1 De Novo Synthesis of Conjugates NEKTAR THERAPEUTICS (US) 2010-07-22 US disclosed
EP-2131865-A2 OLIGOMER-PROTEASE INHIBITOR CONJUGATES Nektar Therapeutics (US) 2009-12-16 EP disclosed
EP-2125027-A2 DE NOVO SYNTHESIS OF CONJUGATES Nektar Therapeutics (US) 2009-12-02 EP disclosed
WO-2009114151-A1 OLIGOMER-AMINO ACID AND OLGOMER-ATAZANAVIR CONJUGATES NEKTAR THERAPEUTICS (US) 2009-09-17 WO disclosed
WO-2008112286-A9 DE NOVO SYNTHESIS OF CONJUGATES NEKTAR THERAPEUTICS AL CORP (US) 2008-12-18 WO disclosed
WO-2008112286-A2 DE NOVO SYNTHESIS OF CONJUGATES NEKTAR THERAPEUTICS (US) 2008-09-18 WO disclosed
WO-2008112289-A2 OLIGOMER-PROTEASE INHIBITOR CONJUGATES NEKTAR THERAPEUTICS (US) 2008-09-18 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 (4 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-20110071093-A1 Novel Reagents DNPEP, NGLY1, COG7 OPRK1 3003/4885GHSR 4079/4885DPP4 1027/4885
US-20100184989-A1 De Novo Synthesis of Conjugates ABCG2, UGT1A8, SLC7A5 OPRK1 689/4885GHSR 3532/4885DPP4 1161/4885
US-20140045770-A1 OLIGOMER-PROTEASE INHIBITOR CONJUGATES DNPEP, ADAM17, SERPINB1 OPRK1 1995/4885GHSR 2232/4885DPP4 49/4885
US-20110269677-A1 Oligomer-Protease Inhibitor Conjugates ADAM17, DNPEP, SERPINB1 OPRK1 2763/4885GHSR 1887/4885DPP4 65/4885

“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.