Hydrochloric Acid

Hydrochloric Acid

SCHEMBL584413

Cl.O=C1C=CC2=C(C1)Oc1cc(O)ccc1C2c1ccccc1C(=O)N1CCNCC1

nearest known ligand 0.38

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
PARP1 known ✓ P09874 4/20 0.36
HSP90AA1 known ✓ P07900 4/20 0.34
SIGMAR1 known ✓ Q99720 1/20 0.33
HSP90AB1 known ✓ P08238 3/20 0.33
HRH3 known ✓ Q9Y5N1 1/20 0.33
ESR1 known ✓ P03372 1/20 0.32
ESR2 known ✓ Q92731 1/20 0.32
JAK2 known ✓ O60674 1/20 0.32
PRKD3 known ✓ O94806 1/20 0.32
ABL1 known ✓ P00519 1/20 0.32
NTRK1 known ✓ P04629 1/20 0.32
LCK known ✓ P06239 1/20 0.32
CSF1R known ✓ P07333 1/20 0.32
RET known ✓ P07949 1/20 0.32
MET known ✓ P08581 1/20 0.32
PDGFRB known ✓ P09619 1/20 0.32
FGFR1 known ✓ P11362 1/20 0.32
PDGFRA known ✓ P16234 1/20 0.32
KDR known ✓ P35968 1/20 0.32
FLT3 known ✓ P36888 1/20 0.32

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
SCHEMBL12495911 0.99 RXFP1 (0.38) RXFP1PARP1HSP90AA1SIGMAR1MEN1
SCHEMBL381409 0.83 CYP2C9 (0.48) RXFP1HSP90AA1MEN1USP2MAPT
SCHEMBL2227779 0.82 CYP2C9 (0.47) RXFP1HSP90AA1MEN1USP2MAPT
SCHEMBL584233 0.82 NPC1 (0.37) PARP1MEN1KMT2ACYP2C9ESR1
Hydrochloric Acid SCHEMBL27871343 0.79 RXFP1 (0.40) RXFP1PARP1HSP90AA1SIGMAR1MEN1
SCHEMBL7578109 0.78 ESR1 (0.37) RXFP1HSP90AA1MEN1USP2MAPT
SCHEMBL27925848 0.77 RXFP1 (0.40) RXFP1PARP1HSP90AA1SIGMAR1MEN1
SCHEMBL5468852 0.77 MEN1 (0.53) RXFP1HSP90AA1MEN1USP2MAPT
SCHEMBL21635716 0.72 ALDH1A1 (0.38) PARP1MEN1USP2MAPTTHRB
SCHEMBL7759506 0.72 ALDH1A1 (0.39) MEN1USP2MAPTTHRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251409-A1 Targeted Delivery of Factor VIII Proteins to Platelets NOVO NORDISK AS (DK) 2016-09-01 US disclosed
EP-2417155-B1 TARGETED DELIVERY OF FACTOR VIII PROTEINS TO PLATELETS NOVO NORDISK AS (DK) 2013-06-19 EP disclosed
US-20120093840-A1 TARGETED DELIVERY OF FACTOR VIII PROTEINS TO PLATELETS NOVO NORDISK A/S (DK) 2012-04-19 US disclosed
EP-2417155-A1 TARGETED DELIVERY OF FACTOR VIII PROTEINS TO PLATELETS Novo Nordisk A/S (DK) 2012-02-15 EP disclosed
WO-2010115866-A1 TARGETED DELIVERY OF FACTOR VIII PROTEINS TO PLATELETS NOVO NORDISK A/S (DK) 2010-10-14 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-20120093840-A1 TARGETED DELIVERY OF FACTOR VIII PROTEINS TO PLATELETS F13B, F8, F13A1 PARP1 3443/4885HSP90AA1 940/4885SIGMAR1 4540/4885
US-20160251409-A1 Targeted Delivery of Factor VIII Proteins to Platelets F13B, F8, F13A1 PARP1 3443/4885HSP90AA1 940/4885SIGMAR1 4540/4885

“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.