Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4861328

Cl.Nc1cccc(-c2cccc(C(=O)O)c2)c1O

nearest known ligand 0.53

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 17)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.46
KMO O15229 2/20 0.51
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
MMP2 P08253 1/20 0.47
FOLH1 Q04609 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
DDT P30046 1/20 0.46
HNF4A P41235 1/20 0.45
PTGER1 P34995 1/20 0.45
ERN1 O75460 1/20 0.44
KEAP1 Q14145 1/20 0.44
PDK2 Q15119 1/20 0.44
NR1H4 Q96RI1 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
SCHEMBL407806 0.98 KMO (0.53) KMORXRARXRBMMP2FOLH1
SCHEMBL29629597 0.98 KMO (0.53) KMORXRARXRBMMP2FOLH1
Bromide SCHEMBL1706405 0.97 KMO (0.51) KMORXRARXRBMMP2FOLH1
SCHEMBL2406525 0.87 MMP2 (0.50) KMORXRARXRBMMP2CA12
Bromide SCHEMBL3361509 0.85 ERN1 (0.44) KMORXRARXRBFOLH1PTGER1
SCHEMBL1618629 0.85 KMO (0.61) KMORXRARXRBFOLH1DDT
SCHEMBL2407332 0.83 RXRA (0.58) KMORXRARXRBCA12CA1
Hydrochloric Acid SCHEMBL3365401 0.82 KMO (0.46) KMORXRARXRBFOLH1CA12
SCHEMBL407375 0.81 KMO (0.56) KMORXRARXRBFOLH1CA12
SCHEMBL2406518 0.81 MMP2 (0.52) RXRARXRBMMP2FOLH1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2799425-A1 Preparation process of an agonist of the thrombopoietin receptor Esteve Química, S.A. (ES) 2014-11-05 EP disclosed
US-7414040-B2 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION (US) 2008-08-19 US disclosed
EP-1370252-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2006-04-05 EP disclosed
US-20050234020-A1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORP. 2005-10-20 US disclosed
US-6875786-B2 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION (US) 2005-04-05 US disclosed
US-20040077855-A1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1370252-A1 THROMBOPOIETIN MIMETICS SmithKline Beecham Corporation (US) 2003-12-17 EP disclosed
WO-2002085343-A1 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-31 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 (2 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-20040077855-A1 Thrombopoietin mimetics MPL, THPO, TEK CA2 4811/4885KMO 3568/4885RXRA 4155/4885
US-20050234020-A1 Thrombopoietin mimetics MPL, THPO, TEK CA2 4818/4885KMO 2431/4885RXRA 4434/4885

“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.