Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4967008

C=CCN(CC(O)CO)CC(O)CO.Cl

nearest known ligand 0.40

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 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4974269 0.98 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2484810 0.93 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3836004 0.80 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5624068 0.77 TYMP (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4492753 0.77 TYMP (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL1627565 0.76 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5141135 0.76 KDM4E (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10586575 0.75 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL28162510 0.75
SCHEMBL9718366 0.74 CYP3A4 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6726906-B1 ORALLY ADMINISTERED POLY(N,N-DI(2,3-DIHYDROXYPROPYL) ALLYLAMINE)HYDROCHLORIDE AND TETRAHYDROLIPSTATIN LIPASE INHIBITOR; HYPERTRIGLYCERIDEMIA; SIDE EFFECT REDUCTION GENZYME CORPORATION 2004-04-27 US claimed
EP-1196181-A1 FAT-BINDING POLYMERS, OPTIONALLY COMBINED WITH LIPASE INHIBITORS Geltex Pharmaceuticals, Inc. (US) 2002-04-17 EP claimed
WO-2001005408-A1 FAT-BINDING POLYMERS, OPTIONALLY COMBINED WITH LIPASE INHIBITORS GELTEX PHARMACEUTICALS, INC. (US) 2001-01-25 WO claimed
EP-1404349-B1 FAT-BINDING POLYMERS GENZYME CORP (US) 2008-10-22 EP disclosed
US-20060127353-A1 Fat-binding polymers GENZYME CORPORATION (US) 2006-06-15 US disclosed
US-7048917-B1 Fat-binding polymers GENZYME CORPORATION (US) 2006-05-23 US disclosed
US-7049345-B2 Fat-binding polymers GENZYME CORPORATION (US) 2006-05-23 US disclosed
US-6726906-B1 ORALLY ADMINISTERED POLY(N,N-DI(2,3-DIHYDROXYPROPYL) ALLYLAMINE)HYDROCHLORIDE AND TETRAHYDROLIPSTATIN LIPASE INHIBITOR; HYPERTRIGLYCERIDEMIA; SIDE EFFECT REDUCTION GENZYME CORPORATION 2004-04-27 US disclosed
EP-1404349-A1 FAT-BINDING POLYMERS GENZYME CORPORATION (US) 2004-04-07 EP disclosed
US-20030039626-A1 Fat-binding polymers GELTEX PHARMACEUTICALS, INC. 2003-02-27 US disclosed
WO-2003002130-A1 FAT-BINDING POLYMERS GENZYME CORPORATION (US) 2003-01-09 WO disclosed
EP-1196181-A1 FAT-BINDING POLYMERS, OPTIONALLY COMBINED WITH LIPASE INHIBITORS Geltex Pharmaceuticals, Inc. (US) 2002-04-17 EP disclosed
US-6299868-B1 FACILITATES THE REMOVAL OF FAT FROM THE BODY PRIOR TO DIGESTION, WITH MINIMAL SIDE EFFECTS AND LOW TOXICITY; FOR THERAPY OF OBESITY, STEATORRHEA, HYPERTRIGLYCERIDEMIA IN MAMMALS GELTEX PHARMACEUTICALS, INC. 2001-10-09 US disclosed
WO-2001005408-A1 FAT-BINDING POLYMERS, OPTIONALLY COMBINED WITH LIPASE INHIBITORS GELTEX PHARMACEUTICALS, INC. (US) 2001-01-25 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-20030039626-A1 Fat-binding polymers FABP4, PNLIP, LIPE ALDH1A1 2277/4885CYP1A2 3895/4885CYP3A4 2878/4885
US-20060127353-A1 Fat-binding polymers FABP4, PNLIP, LIPE ALDH1A1 2277/4885CYP1A2 3895/4885CYP3A4 2878/4885

“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.