Hydrochloric Acid

Hydrochloric Acid

SCHEMBL668327

Cl.O=C(O)[C@H](OCC(F)(F)F)c1ccccc1

nearest known ligand 0.43

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
PPARG known ✓ P37231 6/20 0.40
SRC known ✓ P12931 1/20 0.39
PDPK1 O15530 1/20 0.43
PPARA Q07869 5/20 0.40
CYP2D6 P10635 1/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 1/20 0.38
FABP7 O15540 1/20 0.38
EPHX2 P34913 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
Hydrochloric Acid SCHEMBL8847169 1.00 PDPK1 (0.43) PDPK1PPARGPPARACYP2D6SRC
SCHEMBL5642476 0.98 PDPK1 (0.44) PDPK1PPARGPPARACYP2D6SRC
SCHEMBL5640880 0.98 PDPK1 (0.44) PDPK1PPARGPPARACYP2D6SRC
SCHEMBL893601 0.98 PDPK1 (0.44) PDPK1PPARGPPARACYP2D6SRC
SCHEMBL7344512 0.85 EPHX2 (0.41) PPARGPPARALMNAEPHX2
SCHEMBL11825339 0.85 EPHX1 (0.41) PDPK1CYP2D6LMNAMAPK1FABP7
SCHEMBL527394 0.85 PDPK1 (0.39) PDPK1PPARGPPARALMNAFABP7
SCHEMBL7341580 0.83 PNMT (0.51) PPARGPPARA
SCHEMBL8171416 0.82 KMT2A (0.50) LMNA
SCHEMBL7344139 0.82 MEN1 (0.48) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2803358-B1 10,10-Dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure ALLERGAN INC (US) 2017-05-03 EP disclosed
US-9637467-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2017-05-02 US disclosed
US-9334262-B2 Methods of treating soft tissue defects ALLERGAN, INC. (US) 2016-05-10 US disclosed
US-20160096817-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE ALLERGAN, INC. 2016-04-07 US disclosed
US-9156810-B2 Treatment of inflammatory bowel disease ALLERGAN, INC. (US) 2015-10-13 US disclosed
US-9005605-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2015-04-14 US disclosed
US-8926963-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2015-01-06 US disclosed
US-8900571-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2014-12-02 US disclosed
US-8894992-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2014-11-25 US disclosed
EP-2803358-A1 10,10-Dialkyl prostanoic acid derivatives as agents for lowering intraocular pressure ALLERGAN, INC. (US) 2014-11-19 EP disclosed
US-5824830-A USEFUL AS HYDROGENATION CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-10-20 US disclosed
EP-0826694-A1 Ruthenium-phosphine complex Takasago International Corporation (JP) 1998-03-04 EP disclosed
US-5654432-A NAPHTHYLISOQUINOLINE ALKALOID ISOLATED FROM ANCISTROCLADUS SP. NOVUM VIA ORGANIC SOLVENT EXTRACTION, ACID-BASE PARTITIONING, CENTRIFUGAL PARTITION CHROMATOGRAPHY, AND HPLC USING AN AMINO-BONDED PHASE COLUMN; VIRICIDE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-08-05 US disclosed
EP-0519763-B1 Cyclohexylbutyric acid derivatives and their use in the production of optically active cyclohexylnorstatine TAKASAGO PERFUMERY CO LTD (JP) 1997-02-05 EP disclosed
US-5502221-A HYPOTENSIVE INTERMEDIATE TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-03-26 US disclosed
US-5455251-A Treatment of AIDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-10-03 US disclosed
US-5442105-A Catalytic hydrogenation, epoxidation, reacting product with trialkylsilyl azide in the presence of a Lewis acid, hydrogenolysis TAKASAGO INTERNATIONAL CORPORATION (JP) 1995-08-15 US disclosed
US-5409938-A A plant extracts having a naphthyl-tetrahydroisoquinolines group; a new drug treating malarial, parasiticides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-04-25 US disclosed
WO-1994024108-A1 MICHELLAMINES USEFUL AS ANTIVIRAL AGENTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-10-27 WO disclosed
EP-0519763-A2 Cyclohexylbutyric acid derivatives and their use in the production of optically active cyclohexylnorstatine TAKASAGO INTERNATIONAL CORPORATION (JP) 1992-12-23 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-20160096817-A1 TREATMENT OF INFLAMMATORY BOWEL DISEASE SLC10A2, FABP2, LTB4R2 PPARG 366/4885SRC 3943/4885PDPK1 4060/4885

“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.