Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6775624

Cl.N[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.62

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
HTR2A known ✓ P28223 1/20 0.62
HTR2C known ✓ P28335 1/20 0.62
HTR2B known ✓ P41595 1/20 0.62
PTGS1 known ✓ P23219 1/20 0.57
PPARG known ✓ P37231 1/20 0.53
DPP4 known ✓ P27487 1/20 0.52
GRB2 P62993 1/20 0.57
SLC7A5 Q01650 6/20 0.57
ALPI P09923 1/20 0.57
PKM P14618 1/20 0.57
XIAP P98170 1/20 0.57
GRIA2 P42262 1/20 0.55
NOS3 P29474 2/20 0.54
NOS1 P29475 2/20 0.54
NOS2 P35228 2/20 0.54
PPARA Q07869 1/20 0.53
EPHX1 P07099 1/20 0.52
DPP8 Q6V1X1 1/20 0.52
DPP9 Q86TI2 1/20 0.52
DPP7 Q9UHL4 1/20 0.52

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
Hydrochloric Acid SCHEMBL6775619 1.00 HTR2A (0.62) HTR2AHTR2CHTR2BGRB2SLC7A5
Hydrochloric Acid SCHEMBL10584250 1.00 HTR2A (0.62) HTR2AHTR2CHTR2BGRB2SLC7A5
SCHEMBL503602 0.98 HTR2A (0.64) HTR2AHTR2CHTR2BGRB2SLC7A5
SCHEMBL29557134 0.98 HTR2A (0.64) HTR2AHTR2CHTR2BGRB2SLC7A5
SCHEMBL29478401 0.98 HTR2A (0.64) HTR2AHTR2CHTR2BGRB2SLC7A5
SCHEMBL44156 0.98 HTR2A (0.64) HTR2AHTR2CHTR2BGRB2SLC7A5
SCHEMBL44155 0.98 HTR2A (0.64) HTR2AHTR2CHTR2BGRB2SLC7A5
Hydrochloric Acid SCHEMBL7090642 0.88 PPARG (0.58) HTR2AHTR2CHTR2BGRB2SLC7A5
SCHEMBL6831079 0.86 PPARG (0.60) HTR2AHTR2CHTR2BGRB2SLC7A5
SCHEMBL19943590 0.86 HTR2A (0.69) HTR2AHTR2CHTR2BEPHX1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833382-B2 By muta-synthesis using a mutated micro-organism to influence the biosynthesis of at least one of the precursors of group B streptogramines; mutant strain employed is preferably derived from the strain S. pristinaespiralis SP92 AVENTIS PHARMA S.A. (FR) 2004-12-21 US disclosed
US-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS AVENTIS PHARMA, S.A. 2002-10-03 US disclosed
US-6352839-B1 PREPARING VIRGINIAMYCINS FROM AN ENGINEERED MICROORGANISMS, HAVING THE ABILITY TO PREVENT BIOSYNTHESIS OF THE PRECURSOR ANTIBIOTIC; THE MICROORGANISM IS CULTURED IN THE PRESENCE OF A SECOND PRECURSOR AND THE STREPTOGRAMIN ANALOG IS RECOVERED AVENTIS PHARMA S.A. (FR) 2002-03-05 US disclosed
EP-0310948-A2 Process for the preparation of optically pure phenyl ring-substituted phenyl alamine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-12 EP 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-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS EMG1, FBL, SMS HTR2A 970/4885HTR2C 3347/4885HTR2B 1080/4885

“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.