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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 known ✓ | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 known ✓ | Q99500 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 11/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | PLAT | P00750 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL193069 | 1.00 | CNR2 (0.44) | CNR2MPOPLATMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL192820 | 0.86 | CNR2 (0.47) | CNR2PLATALDH1A1LMNATSHR | |
| Hydrochloric Acid SCHEMBL192819 | 0.86 | CNR2 (0.47) | CNR2PLATALDH1A1LMNATSHR | |
| Hydrochloric Acid SCHEMBL193317 | 0.85 | TLR9 (0.41) | CNR2MPOMEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL193316 | 0.85 | TLR9 (0.41) | CNR2MPOMEN1KMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL192356 | 0.83 | GRM5 (0.54) | CNR2MEN1KMT2ALMNATSHR | |
| Hydrochloric Acid SCHEMBL192355 | 0.83 | GRM5 (0.54) | CNR2MEN1KMT2ALMNATSHR | |
| SCHEMBL193730 | 0.82 | GRM5 (0.55) | CNR2MEN1KMT2ALMNATSHR | |
| SCHEMBL192832 | 0.82 | GRM5 (0.55) | CNR2MEN1KMT2ALMNATSHR | |
| SCHEMBL192560 | 0.82 | GRM5 (0.55) | CNR2MEN1KMT2ALMNATSHR |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163775-B2 | Allosteric modulators of metabotropic glutamate receptors | ADDEX PHARMA SA (CH) | 2012-04-24 | — | — | US | disclosed |
| US-20120022108-A1 | ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA SA (CH) | 2012-01-26 | — | — | US | disclosed |
| EP-2030970-B1 | Allosteric modulators of metabotropic glutamate receptors | ADDEX PHARMACEUTICALS SA (CH) | 2012-01-04 | — | — | EP | disclosed |
| US-8030331-B2 | Allosteric modulators of metabotropic glutamate receptors | ADDEX PHARMA SA (CH) | 2011-10-04 | — | — | US | disclosed |
| US-20110112143-A1 | ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA SA (CH) | 2011-05-12 | — | — | US | disclosed |
| US-7834035-B2 | Schizophrenia and related disorders; positive allosteric modulators of mGluR5; {3-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-phenyl-methanone for example; compounds are all contain a 5-(1-carbonylpiperidin-3-yl)-1,2,4-oxadiazole moiety | ADDEX PHARMA SA (CH) | 2010-11-16 | — | — | US | disclosed |
| US-20090197897-A1 | Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors | ADDEX PHARMA SA (CH) | 2009-08-06 | — | — | US | disclosed |
| EP-2030970-A1 | Allosteric modulators of metabotropic glutamate receptors | ADDEX Pharma S.A. (CH) | 2009-03-04 | — | — | EP | disclosed |
| EP-1685105-B1 | ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA SA (CH) | 2008-10-15 | — | — | EP | disclosed |
| EP-1896463-A2 | NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX Pharma S.A. (CH) | 2008-03-12 | — | — | EP | disclosed |
| US-20070219187-A1 | Allosteric Modulators of Metabotropic Glutamate Receptors | ADDEX PHARMA SA (CH) | 2007-09-20 | — | — | US | disclosed |
| WO-2006123249-A2 | NOVEL OXADIAZOLE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMA SA (CH) | 2006-11-23 | — | — | WO | disclosed |
| EP-1685105-A1 | ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | Addex Pharmaceuticals SA (CH) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005044797-A1 | ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX PHARMACEUTICALS SA (CH) | 2005-05-19 | — | — | 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 (4 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-20070219187-A1 | Allosteric Modulators of Metabotropic Glutamate Receptors | GRM5, GRM2, GRM1 | S1PR1 475/4885S1PR3 440/4885CNR2 82/4885 |
| US-20120022108-A1 | ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | GRM5, GRM2, GRM1 | S1PR1 475/4885S1PR3 440/4885CNR2 82/4885 |
| US-20110112143-A1 | ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | GRM5, GRM2, GRM1 | S1PR1 475/4885S1PR3 440/4885CNR2 82/4885 |
| US-20090197897-A1 | Novel Oxadiazole Derivatives and Their Use as Positive Allosteric Modulators of Metabotropic Glutamate Receptors | GRM5, GRM2, GRM3 | S1PR1 778/4885S1PR3 500/4885CNR2 96/4885 |
“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.