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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.52 |
| ▸ | MGAM | O43451 | 1/20 | 0.52 |
| ▸ | SI | P14410 | 1/20 | 0.52 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PPID | Q08752 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.36 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL452234 | 0.98 | GAA (0.54) | GAAMGAMSIMGAM2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28115834 | 0.84 | SOAT1 (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27816766 | 0.83 | GAA (0.48) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL7430700 | 0.83 | GAA (0.52) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL7721965 | 0.81 | GAA (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL21578650 | 0.81 | GAA (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL14038998 | 0.81 | NAAA (0.36) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL11193578 | 0.81 | GAA (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL13774331 | 0.81 | GAA (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7370219 | 0.79 | TSHR (0.43) | GAAMGAMSIMGAM2ALDH1A1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3092219-B1 | ETHYNYL-IMIDAZOLIN-2,4-DIONE DERIVATIVES AS MGLUR4 MODULATORS | HOFFMANN LA ROCHE (CH) | 2018-09-19 | — | — | EP | disclosed |
| US-9695128-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-07-04 | — | — | US | disclosed |
| US-20170008854-A1 | ETHYNYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2017-01-12 | — | — | US | disclosed |
| EP-3092219-A1 | ETHYNYL-IMIDAZOLIN-2,4-DIONE DERIVATIVES AS MGLUR4 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2016-11-16 | — | — | EP | disclosed |
| WO-2015104271-A1 | ETHYNYL-IMIDAZOLIN-2,4-DIONE DERIVATIVES AS MGLUR4 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-07-16 | — | — | WO | disclosed |
| EP-1064254-B1 | ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS | UNIV SASKATCHEWAN (CA) | 2007-10-17 | — | — | EP | disclosed |
| US-6984754-B1 | Aliphatic amino carboxylic and amino phosphonic acids amino nitriles and amino tetrazoles as cellular rescue agents | UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) | 2006-01-10 | — | — | US | disclosed |
| CN-1678315-A | Prodrugs of imidazole derivatives as proton pump inhibitors for the treatment of e.g. peptic ulcers | TAKEDA PHARMACEUTICAL (JP) | 2005-10-05 | — | — | CN | disclosed |
| US-20050159393-A1 | Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents | UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) | 2005-07-21 | — | — | US | disclosed |
| EP-1553929-A2 | CONTROLLED RELEASE PREPARATION | Takeda Pharmaceutical Company Limited (JP) | 2005-07-20 | — | — | EP | disclosed |
| EP-1513527-A1 | PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS | Takeda Pharmaceutical Company Limited (JP) | 2005-03-16 | — | — | EP | disclosed |
| WO-2004035020-A2 | CONTROLLED RELEASE PREPARATION | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-04-29 | — | — | WO | disclosed |
| WO-2003105845-A1 | PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-12-24 | — | — | WO | disclosed |
| EP-1064254-A2 | ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS | University of Saskatchewan Technologies Inc. (CA) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999048858-A2 | ALIPHATIC AMINO CARBOXYLIC AND AMINO PHOSPHONIC ACIDS, AMINO NITRILES AND AMINO TETRAZOLES AS CELLULAR RESCUE AGENTS | UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) | 1999-09-30 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170008854-A1 | ETHYNYL DERIVATIVES | SNCA, NLN, ATXN2 | GAA 888/4885MGAM 3399/4885SI 2794/4885 |
| US-20050159393-A1 | Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents | CHAMP1, PYCR1, PRMT5 | GAA 4493/4885MGAM 3496/4885SI 3461/4885 |
“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.