Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2264011

Cl.NNc1ccc(C(=O)NCCCCCCNC(=S)Nc2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)cn1

nearest known ligand 0.57

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 12)

geneUniProtsupporting neighboursconfidence
JAK2 known ✓ O60674 1/20 0.57
TTR known ✓ P02766 1/20 0.44
NAALAD2 Q9Y3Q0 6/20 0.52
GLS O94925 1/20 0.48
FTO Q9C0B1 5/20 0.46
NQO1 P15559 1/20 0.46
FOLH1 Q04609 2/20 0.44
NR1H2 P55055 1/20 0.44
MIF P14174 1/20 0.43
RORC P51449 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.41
NT5E P21589 1/20 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
SCHEMBL2263499 0.84 JAK2 (0.59) JAK2NAALAD2GLSFTONQO1
SCHEMBL2261998 0.83 JAK2 (0.56) JAK2NAALAD2GLSFTONQO1
SCHEMBL14344300 0.79 FTO (0.55) JAK2NAALAD2GLSFTONQO1
SCHEMBL7877596 0.77 FTO (0.52) JAK2NAALAD2FTONT5E
SCHEMBL28607477 0.76 FTO (0.53) JAK2NAALAD2FTONT5E
SCHEMBL8893358 0.76 NAALAD2 (0.62) JAK2NAALAD2FTONQO1FOLH1
SCHEMBL15045059 0.76 FTO (0.61) JAK2NAALAD2FTONQO1FOLH1
SCHEMBL29353892 0.75 FTO (0.63) JAK2NAALAD2FTONQO1FOLH1
SCHEMBL991216 0.75 FTO (0.63) JAK2NAALAD2FTONQO1FOLH1
SCHEMBL26030595 0.75 FTO (0.52) JAK2NAALAD2FTONT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999098-B2 Triphosphate oligonucleotide modification reagents and uses thereof SOLULINK BIOSCIENCES, INC. (US) 2011-08-16 US disclosed
US-20070179288-A1 Triphosphate oligonucleotide modification reagents and uses thereof AUDAX PRIVATE DEBT LLC, AS AGENT 2007-08-02 US disclosed
US-7173125-B2 Triphosphate oligonucleotide modification reagents and uses thereof AUDAX PRIVATE DEBT LLC, AS AGENT 2007-02-06 US disclosed
US-20040214199-A1 Triphosphate oligonucleotide modification reagents and uses thereof AUDAX PRIVATE DEBT LLC, AS AGENT 2004-10-28 US disclosed
US-6686461-B1 HYDRAZINO, OXYAMINO AND CARBONYL-BASED MONOMERS AND METHODS FOR LABELLING OF OLIGONUCLEOTIDES WITHOUT THE NEED FOR POST-SYNTHETIC MODIFICATION SOLULINK BIOSCIENCE, INC. 2004-02-03 US disclosed
EP-1305327-A2 TRIPHOSPHATE OLIGONUCLEOTIDE MODIFICATION REAGENTS AND USES THEREOF Schwartz, David A. (US) 2003-05-02 EP disclosed
WO-2002010432-A2 TRIPHOSPHATE OLIGONUCLEOTIDE MODIFICATION REAGENTS AND USES THEREOF SCHWARTZ DAVID A (US) 2002-02-07 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-20040214199-A1 Triphosphate oligonucleotide modification reagents and uses thereof RNGTT, DUT, NUDT1 JAK2 4502/4885TTR 1293/4885NAALAD2 1941/4885
US-20070179288-A1 Triphosphate oligonucleotide modification reagents and uses thereof RNGTT, DUT, NUDT1 JAK2 4492/4885TTR 1306/4885NAALAD2 1907/4885

“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.