Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3345909

Cl.Nc1ccn([C@]2(F)O[C@H](CO)[C@@H](O)[C@]2(O)F)c(=O)n1

nearest known ligand 0.52

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
PDE3A known ✓ Q14432 3/20 0.52
PDE4D known ✓ Q08499 1/20 0.52
CACNA1F known ✓ O60840 2/20 0.37
CACNA1D known ✓ Q01668 2/20 0.37
CACNA1S known ✓ Q13698 2/20 0.37
CACNA1C known ✓ Q13936 2/20 0.37
POLA1 known ✓ P09884 1/20 0.37
FGFR1 known ✓ P11362 1/20 0.34
SLC29A1 Q99808 1/20 0.52
LMNA P02545 5/20 0.46
MTOR P42345 2/20 0.46
THRB P10828 1/20 0.46
MDM2 Q00987 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
ALB P02768 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3474446 0.99 PDE3A (0.53) PDE3APDE4DSLC29A1LMNAMTOR
Methyl Alcohol SCHEMBL27751480 0.98 PDE3A (0.52) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL27999217 0.88 PDE3A (0.52) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL31189348 0.84 PDE3A (0.48) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL27829248 0.84 PDE4D (0.41) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL28569717 0.84 PDE3A (0.53) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL23258348 0.83 PDE3A (0.56) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL587469 0.82 PDE3A (0.53) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL587470 0.82 PDE3A (0.53) PDE3APDE4DSLC29A1LMNAMTOR
SCHEMBL27712544 0.82 PDE3A (0.46) PDE3APDE4DSLC29A1LMNAMTOR

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981267-A1 COMBINATION THERAPY FOR THE TREATMENT OF PROLIFERATIVE DISEASES Bristol-Myers Squibb Company (US) 2016-02-10 EP claimed
WO-2014165718-A1 COMBINATION THERAPY FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-09 WO claimed
WO-2001034198-A2 ONCOLYTIC COMBINATIONS FOR THE TREATMENT OF CANCER ELI LILLY AND COMPANY (US) 2001-05-17 WO claimed
CN-115103678-A FGFR tyrosine kinase inhibitors for the treatment of high risk non-muscle invasive bladder cancer 詹森药业有限公司 2022-09-23 CN disclosed
CN-115038466-A Combination therapy and uses and methods thereof 葛兰素史密斯克莱知识产权发展有限公司 2022-09-09 CN disclosed
CN-114945386-A Methods of treating diffuse large B-cell lymphoma using anti-CD 79B immunoconjugates 基因泰克公司 2022-08-26 CN disclosed
CN-114222760-A IL1RAP binding proteins 葛兰素史密斯克莱知识产权发展有限公司 2022-03-22 CN disclosed
CN-112237631-B Use of acetylcholine pathway modulators in the treatment of cancer 清华大学 2022-03-04 CN disclosed
WO-2020044252-A1 DOSAGE REGIMES FOR ANTI-M-CSF ANTIBODIES AND USES THEREOF NOVARTIS AG (CH) 2020-03-05 WO disclosed
CN-109481691-A Gemcitabine-carboxymethyl polysaccharide conjugate, preparation method and its usage 珠海天香苑生物科技发展股份有限公司 2019-03-19 CN disclosed
CN-102580084-B The fixed dosage of HER antibody is administered 健泰科生物技术公司 2016-11-23 CN disclosed
US-20130078229-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER QUINTESSENCE BIOSCIENCES, INC. 2013-03-28 US disclosed
US-20120276077-A1 THERAPEUTIC RIBONUCLEASES QUINTESSENCE BIOSCIENCES, INC. (US) 2012-11-01 US disclosed
US-8298801-B2 Human ribonuclease for use in prevention and treatment of cancer; antitumor agents QUINTESSENCE BIOSCIENCES, INC. (US) 2012-10-30 US disclosed
WO-2010049947-A2 PREPARATION OF GEMCITABINE AND INTERMEDIATES THEREOF ACCRETE PHARMACEUTICAL PRIVATE LIMITED (IN) 2010-05-06 WO disclosed
US-20100080789-A1 THERAPEUTIC RIBONUCLEASES QUINTESSENCE BIOSCIENCES, INC. (US) 2010-04-01 US disclosed
EP-2094260-A1 TREATMENT OF LUNG CANCER Ramot at Tel-Aviv University Ltd. (IL) 2009-09-02 EP disclosed
WO-2008075342-A1 TREATMENT OF LUNG CANCER RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2008-06-26 WO disclosed
US-20080095755-A1 Methods and compositions for the treatment of cancer QUINTESSENCE BIOSCIENCES, INC. (US) 2008-04-24 US disclosed
US-20050192247-A1 Method of treating cancers ARQULE, INC. 2005-09-01 US 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 (1 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-20050192247-A1 Method of treating cancers CCNE1, CCNB1, CCNT1 PDE3A 2143/4885PDE4D 3585/4885CACNA1F 4428/4885

“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.