Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3345914

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

nearest known ligand 0.60

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 2/20 0.46
PDE4D known ✓ Q08499 1/20 0.46
GLA known ✓ P06280 1/20 0.43
CACNA1F known ✓ O60840 1/20 0.41
CACNA1D known ✓ Q01668 1/20 0.41
CACNA1S known ✓ Q13698 1/20 0.41
CACNA1C known ✓ Q13936 1/20 0.41
LMNA P02545 2/20 0.60
THRB P10828 1/20 0.60
MTOR P42345 1/20 0.60
MDM2 Q00987 1/20 0.60
NCOA1 Q15788 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
NT5E P21589 1/20 0.50
SLC29A1 Q99808 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
P2RY2 P41231 1/20 0.43
ST6GAL1 P15907 1/20 0.41
ALB P02768 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
SCHEMBL3474450 0.99 LMNA (0.62) LMNATHRBMTORMDM2NCOA1
SCHEMBL18740734 0.81 LMNA (0.58) LMNATHRBMTORMDM2NCOA1
SCHEMBL30989748 0.79 LMNA (0.54) LMNATHRBMTORMDM2NCOA1
SCHEMBL2835710 0.79 LMNA (0.69) LMNATHRBMTORMDM2NCOA1
Hydrochloric Acid SCHEMBL19555528 0.78 POLB (0.49) LMNATHRBMTORMDM2NCOA1
Hydrochloric Acid SCHEMBL15663884 0.78 LMNA (0.64) LMNATHRBMTORMDM2NCOA1
SCHEMBL399323 0.78 LMNA (0.67) LMNATHRBMTORMDM2NCOA1
SCHEMBL10015791 0.78 LMNA (0.67) LMNATHRBMTORMDM2NCOA1
SCHEMBL4879682 0.78 LMNA (0.67) LMNATHRBMTORMDM2NCOA1
SCHEMBL18693664 0.78 LMNA (0.67) LMNATHRBMTORMDM2NCOA1

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 25 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
EP-2981267-A1 COMBINATION THERAPY FOR THE TREATMENT OF PROLIFERATIVE DISEASES Bristol-Myers Squibb Company (US) 2016-02-10 EP disclosed
US-9192656-B2 Methods and compositions for the treatment of cancer QUINTESSENCE BIOSCIENCES, INC. (US) 2015-11-24 US disclosed
WO-2013044187-A2 DETECTING OVARIAN CANCER MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2013-03-28 WO 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 3585/4885GLA 183/4885

“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.