Hydrochloric Acid

Hydrochloric Acid

SCHEMBL55352

CN(C)CCNC(=O)CCN.Cl.Cl

nearest known ligand 0.58

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 2/20 0.39
DNM1 Q05193 2/20 0.58
ACKR3 P25106 1/20 0.47
LGALS1 P09382 1/20 0.45
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CA1 P00915 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4A O75164 1/20 0.39
HIF1A Q16665 1/20 0.39
TET2 Q6N021 1/20 0.39
DOHH Q9BU89 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3550114 0.98 DNM1 (0.59) DNM1ACKR3LGALS1CYP2C19CYP2C9
SCHEMBL7051430 0.86 DNM1 (0.64) DNM1CYP2C19CYP2C9KDM4AHIF1A
SCHEMBL28034533 0.86 DNM1 (0.66) DNM1ACKR3LGALS1CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL56355 0.83 DNM1 (0.52) DNM1ACKR3LGALS1CYP2C19CYP2C9
SCHEMBL12946153 0.82 DNM1 (0.50) DNM1ACKR3LGALS1CYP2C19CYP2C9
SCHEMBL24754677 0.81 DNM1 (0.63) DNM1ACKR3LGALS1ALDH1A1TP53
SCHEMBL5828481 0.81 DNM1 (0.53) DNM1ACKR3LGALS1CYP2C19CYP2C9
SCHEMBL22571031 0.80 DNM1 (0.58) DNM1ACKR3LGALS1ALDH1A1TP53
Hydrochloric Acid SCHEMBL27665157 0.80 DNM1 (0.58) DNM1ACKR3LGALS1KDM4A
SCHEMBL1387289 0.79 DNM1 (0.61) DNM1ACKR3LGALS1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111630058-B Glucopyranosyl derivative and use thereof 广东东阳光药业有限公司 2022-02-15 CN disclosed
US-11186602-B2 Glucopyranosyl derivative and use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-11-30 US disclosed
US-20210054013-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-02-25 US disclosed
EP-3747892-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2020-12-09 EP disclosed
CN-111630058-A Glucopyranosyl derivative and use thereof 广东东阳光药业有限公司 2020-09-04 CN disclosed
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
EP-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 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 (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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD CA2 1757/4885DNM1 3710/4885ACKR3 3904/4885
US-11186602-B2 Glucopyranosyl derivative and use thereof SLC5A1, SLC5A2, UGGT1 CA2 1133/4885DNM1 2108/4885ACKR3 3261/4885
US-20210054013-A1 GLUCOPYRANOSYL DERIVATIVE AND USE THEREOF SLC5A1, SLC5A2, UGGT1 CA2 1133/4885DNM1 2108/4885ACKR3 3261/4885

“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.