Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2341997

CCCCCCCC(=N)OC.Cl

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 0.41
POLA1 known ✓ P09884 1/20 0.41
PPARG known ✓ P37231 7/20 0.41
HDAC11 known ✓ Q96DB2 5/20 0.41
ESR1 known ✓ P03372 1/20 0.41
PDE4A known ✓ P27815 1/20 0.41
PDE3A known ✓ Q14432 1/20 0.41
SPHK2 Q9NRA0 1/20 0.50
SPHK1 Q9NYA1 1/20 0.50
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
POLB P06746 1/20 0.41
GPR84 Q9NQS5 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41

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 SCHEMBL10516686 1.00 SPHK2 (0.50) SPHK2SPHK1CES2CES1HSP90AA1
Methyl Alcohol SCHEMBL4439549 0.98 SPHK2 (0.48) SPHK2SPHK1CES2CES1HSP90AA1
SCHEMBL13491640 0.98 SPHK2 (0.52) SPHK2SPHK1CES2CES1HSP90AA1
Hydrochloric Acid SCHEMBL4529076 0.90
Hydrochloric Acid SCHEMBL351073 0.90 SPHK2 (0.35) SPHK2SPHK1TSHRALDH1A1
Hydrochloric Acid SCHEMBL3613960 0.90 SPHK2 (0.35) SPHK2SPHK1TSHRALDH1A1
Hydrochloric Acid SCHEMBL988664 0.90 SPHK2 (0.35) SPHK2SPHK1TSHRALDH1A1
Hydrochloric Acid SCHEMBL164104 0.90 SPHK2 (0.35) SPHK2SPHK1TSHRALDH1A1
SCHEMBL7221289 0.87
Hydrochloric Acid SCHEMBL432534 0.87 TSHR (0.35) SPHK2SPHK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309214-B2 Method for manufacturing neuraminic acid derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-04-12 US disclosed
US-9303008-B2 Method for manufacturing neuraminic acid derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-04-05 US disclosed
US-20160052906-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-25 US disclosed
US-20150376155-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-12-31 US disclosed
US-20150376156-A1 NEURAMINIC ACID DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-12-31 US disclosed
US-20150259314-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-17 US disclosed
US-20140018417-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-01-16 US disclosed
EP-2360156-B1 Method for manufacturing neuraminic acid derivatives DAIICHI SANKYO CO LTD (JP) 2013-12-18 EP disclosed
US-8575370-B2 Method for manufacturing neuraminic acid derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-11-05 US disclosed
US-20130197072-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES DAIICHI SANKYO CO., LTD. (JP) 2013-08-01 US disclosed
US-8455659-B2 Method for manufacturing neuraminic acid derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 US disclosed
EP-2360151-B1 Method for manufacturing neuraminic acid derivatives DAIICHI SANKYO CO LTD (JP) 2013-04-10 EP disclosed
EP-2132191-B1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-02-20 EP disclosed
EP-2360135-B1 Method for manufacturing neuraminic acid derivatives DAIICHI SANKYO CO LTD (JP) 2012-10-24 EP disclosed
EP-2360135-A1 Method for manufacturing neuraminic acid derivatives Daiichi Sankyo Company, Limited (JP) 2011-08-24 EP disclosed
EP-2360151-A1 Method for manufacturing neuraminic acid derivatives Daiichi Sankyo Company, Limited (JP) 2011-08-24 EP disclosed
EP-2360156-A1 Method for manufacturing neuraminic acid derivatives Daiichi Sankyo Company, Limited (JP) 2011-08-24 EP disclosed
US-20100035947-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
EP-2132191-A2 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-12-16 EP disclosed
WO-2008126943-A2 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-10-23 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 (7 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-20160052906-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES C9, CHRNA7, SCN7A HSP90AA1 4043/4885POLA1 4549/4885PPARG 4780/4885
US-20130197072-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES C9, L1CAM, C3AR1 HSP90AA1 3768/4885POLA1 4722/4885PPARG 4828/4885
US-20150376156-A1 NEURAMINIC ACID DERIVATIVES NCDN, L1CAM, B3GNT2 HSP90AA1 3652/4885POLA1 4134/4885PPARG 3860/4885
US-20100035947-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES NEFM, NCDN, NTRK1 HSP90AA1 3927/4885POLA1 3811/4885PPARG 4716/4885
US-20150259314-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES C9, SCN7A, RTN4 HSP90AA1 2790/4885POLA1 4462/4885PPARG 4847/4885
US-20150376155-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES NCDN, C9, BDNF HSP90AA1 3557/4885POLA1 3851/4885PPARG 4370/4885
US-20140018417-A1 METHOD FOR MANUFACTURING NEURAMINIC ACID DERIVATIVES NCDN, C9, BDNF HSP90AA1 3395/4885POLA1 3860/4885PPARG 4385/4885

“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.