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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 known ✓ | Q05586 | 4/20 | 0.43 |
| ▸ | GRIN2B known ✓ | Q13224 | 4/20 | 0.43 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.37 |
| ▸ | PDGFRA known ✓ | P16234 | 1/20 | 0.37 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.36 |
| ▸ | PRKD3 known ✓ | O94806 | 1/20 | 0.36 |
| ▸ | PRKCG known ✓ | P05129 | 1/20 | 0.36 |
| ▸ | RET known ✓ | P07949 | 1/20 | 0.36 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.36 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.36 |
| ▸ | PRKCI known ✓ | P41743 | 1/20 | 0.36 |
| ▸ | PRKCZ known ✓ | Q05513 | 1/20 | 0.36 |
| ▸ | NTRK3 known ✓ | Q16288 | 1/20 | 0.36 |
| ▸ | ALK known ✓ | Q9UM73 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 3/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4430423 | 0.83 | CYP11B2 (0.54) | AHRGRIN1GRIN2BCYP1B1P2RX7 | |
| SCHEMBL4591849 | 0.80 | MAP4K4 (0.49) | AHRGRIN1GRIN2BCYP11B1CYP11B2 | |
| SCHEMBL13048812 | 0.80 | PNMT (0.53) | AHRGRIN1GRIN2BCYP1B1P2RX7 | |
| SCHEMBL7390587 | 0.76 | CYP11B1 (0.49) | GRIN1GRIN2BCYP11B1CYP11B2 | |
| SCHEMBL4591821 | 0.76 | TAAR1 (0.47) | GRIN1GRIN2BP2RX7NPY5R | |
| Hydrochloric Acid SCHEMBL6782784 | 0.75 | CYP11B1 (0.50) | CYP11B1CYP11B2 | |
| SCHEMBL11071591 | 0.75 | AHR (0.64) | AHRCYP1B1NOTUM | |
| SCHEMBL4197241 | 0.75 | DRD2 (0.52) | GRIN1GRIN2BCYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL7122989 | 0.74 | TAAR1 (0.43) | AHRGRIN1GRIN2BP2RX7CYP11B1 | |
| SCHEMBL2646363 | 0.74 | CYP11B1 (0.54) | NOTUMCYP11B1CYP11B2MKNK2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1358165-B1 | IMIDAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2009-03-11 | — | — | EP | disclosed |
| US-6683097-B2 | AFFINITY TO NMDA (N-METHYL-D-ASPARTATE)-RECEPTOR SUBTYPE SELECTIVE BLOCKERS; MEDIATING PROCESSES UNDERLYING DEVELOPMENT OF CENTRAL NERVOUS SYSTEM AS WELL AS LEARNING AND MEMORY FORMATION | HOFFMANN-LA ROCHE INC. | 2004-01-27 | — | — | US | disclosed |
| US-6667335-B2 | NMDA (N-methyl-D-aspartate)-receptor subtype selective blockers | HOFFMANN-LA ROCHE INC. | 2003-12-23 | — | — | US | disclosed |
| EP-1358165-A1 | IMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-11-05 | — | — | EP | disclosed |
| US-20030191311-A1 | A 5-(imidazol-1-yl-methyl)-pyridine derivatives for treating an NMDA-receptor-mediated disease, neurodegeneration disorder caused by stroke or brain trauma, Alzheimer's disease, Parkinson's disease, Huntington's disease | EVOTEC INTERNATIONAL GMBH (DE) | 2003-10-09 | — | — | US | disclosed |
| US-20030187268-A1 | Imidazole derivatives | EVOTEC INTERNATIONAL GMBH (DE) | 2003-10-02 | — | — | US | disclosed |
| US-6610723-B2 | Such as 3-(3,4-dimethyl-phenyl)-5-(2-methyl-imidazol-1-yl-methyl)-pyridine having affinity to N-methyl-D-aspartate-receptor subtype selective blockers; central nervous system; learning, memory, neurodegeneration | HOFFMANN-LA ROCHE INC. | 2003-08-26 | — | — | US | disclosed |
| US-20020151715-A1 | Imidazole derivatives | EVOTEC INTERNATIONAL GMBH (DE) | 2002-10-17 | — | — | US | disclosed |
| WO-2002060877-A1 | IMIDAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-08 | — | — | 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 (3 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-20030191311-A1 | A 5-(imidazol-1-yl-methyl)-pyridine derivatives for treating an NMDA-receptor-mediated disease, neurodegeneration disorder caused by stroke or brain trauma, Alzheimer's disease, Parkinson's disease, Huntington's disease | GRIN1, GRIN2B, GRIN3B | GRIN1 1/4885GRIN2B 2/4885PDGFRB 1551/4885 |
| US-20020151715-A1 | Imidazole derivatives | GRIN2B, GRIN1, GRIN2A | GRIN1 2/4885GRIN2B 1/4885PDGFRB 1704/4885 |
| US-20030187268-A1 | Imidazole derivatives | GRIN2B, GRIN1, GRIN2A | GRIN1 2/4885GRIN2B 1/4885PDGFRB 1704/4885 |
“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.