Hydrochloric Acid

Hydrochloric Acid

SCHEMBL587134

CC(C)(C)OC(=O)C(N)CN.Cl

nearest known ligand 0.37

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
CA2 known ✓ P00918 1/20 0.32
GAA known ✓ P10253 1/20 0.31
NOS1 P29475 2/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
LTA4H P09960 1/20 0.35
SLC7A5 Q01650 1/20 0.33
LMNA P02545 2/20 0.33
PMP22 Q01453 1/20 0.33
NLRP3 Q96P20 1/20 0.33
KMT2A Q03164 2/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
KDM4E B2RXH2 1/20 0.31
DGAT1 O75907 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL26297382 0.98 NOS1 (0.38) NOS1NOS3NOS2LTA4HSLC7A5
SCHEMBL8350648 0.98 NOS1 (0.38) NOS1NOS3NOS2LTA4HSLC7A5
SCHEMBL34507 0.98 NOS1 (0.38) NOS1NOS3NOS2LTA4HSLC7A5
Hydrochloric Acid SCHEMBL20243055 0.84 NOS1 (0.38) NOS1NOS3NOS2LTA4HSLC7A5
Hydrochloric Acid SCHEMBL5821232 0.83 NOS1 (0.39) NOS1NOS3NOS2LTA4HSLC7A5
Hydrochloric Acid SCHEMBL4555756 0.83 NOS1 (0.37) NOS1NOS3NOS2LTA4HSLC7A5
Hydrochloric Acid SCHEMBL78220 0.83 NOS1 (0.37) NOS1NOS3NOS2LTA4HSLC7A5
Hydrochloric Acid SCHEMBL1951786 0.83 NOS1 (0.37) NOS1NOS3NOS2LTA4HSLC7A5
Hydrochloric Acid SCHEMBL3104040 0.83 NOS1 (0.37) NOS1NOS3NOS2LTA4HSLC7A5
Hydrochloric Acid SCHEMBL918636 0.83 NOS1 (0.37) NOS1NOS3NOS2LTA4HSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115068626-A Protein-polymer-drug conjugates 阿萨纳生物科技有限责任公司 2022-09-20 CN disclosed
CN-105813655-B Protein-polymer-drug conjugates 阿萨纳生物科技有限责任公司 2022-03-15 CN disclosed
EP-3192529-B1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY FAULSTICH HEINZ DR (DE) 2020-03-25 EP disclosed
EP-3485912-A1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY Faulstich, Heinz, Dr. (DE) 2019-05-22 EP disclosed
US-9937152-B2 Derivative of styrene-maleic acid copolymer Maeda, Hiroshi (JP) 2018-04-10 US disclosed
EP-3192529-A1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY Faulstich, Heinz, Dr. (DE) 2017-07-19 EP disclosed
EP-2416804-B1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY FAULSTICH HEINZ DR (DE) 2017-03-01 EP disclosed
US-20160317672-A1 DERIVATIVE OF STYRENE-MALEIC ACID COPOLYMER Maeda, Hiroshi (JP) 2016-11-03 US disclosed
EP-3072910-A1 DERIVATIVE OF STYRENE-MALEIC ACID COPOLYMER Maeda, Hiroshi (JP) 2016-09-28 EP disclosed
US-20160089450-A1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2016-03-31 US disclosed
US-9233173-B2 Amatoxin-armed therapeutic cell surface binding components designed for tumour therapy DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2016-01-12 US disclosed
EP-2834239-A1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS Astrazeneca AB (SE) 2015-02-11 EP disclosed
WO-2013150296-A1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS ASTRAZENECA AB (SE) 2013-10-10 WO disclosed
US-20120100161-A1 Amatoxin-Armed Therapeutic Cell Surface Binding Components Designed for Tumour Therapy DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2012-04-26 US disclosed
EP-2416804-A2 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY Faulstich, Heinz, Dr. (DE) 2012-02-15 EP disclosed
WO-2010115629-A2 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 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 (3 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-20120100161-A1 Amatoxin-Armed Therapeutic Cell Surface Binding Components Designed for Tumour Therapy ANTXR2, TNFSF10, ANXA5 CA2 2000/4885GAA 1410/4885NOS1 4809/4885
US-20160089450-A1 AMATOXIN-ARMED THERAPEUTIC CELL SURFACE BINDING COMPONENTS DESIGNED FOR TUMOUR THERAPY ANTXR2, TNFSF10, ANXA5 CA2 2000/4885GAA 1410/4885NOS1 4809/4885
US-20160317672-A1 DERIVATIVE OF STYRENE-MALEIC ACID COPOLYMER ME3, SMN1; SMN2, SMC1A CA2 822/4885GAA 229/4885NOS1 1917/4885

“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.