Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 known ✓ | Q12809 | 3/20 | 0.46 |
| ▸ | GRM5 | P41594 | 15/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
| ▸ | TSPO | P30536 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL2172804 | 1.00 | GRM5 (0.49) | GRM5KCNH2FFAR1ADRB3TSPO | |
| SCHEMBL2174402 | 0.79 | GRM5 (0.42) | GRM5KCNH2FFAR1ADRB3TSPO | |
| SCHEMBL2172336 | 0.78 | GRM5 (0.78) | GRM5KCNH2FFAR1ADRB3TSPO | |
| SCHEMBL29378035 | 0.78 | GRM5 (0.78) | GRM5KCNH2FFAR1ADRB3TSPO | |
| SCHEMBL23458046 | 0.77 | GRM5 (0.53) | GRM5KCNH2FFAR1ADRB3TSPO | |
| SCHEMBL29768347 | 0.77 | GRM5 (0.53) | GRM5KCNH2FFAR1ADRB3TSPO | |
| SCHEMBL29768496 | 0.77 | GRM5 (0.53) | GRM5KCNH2FFAR1ADRB3TSPO | |
| SCHEMBL23458175 | 0.77 | GRM5 (0.53) | GRM5KCNH2FFAR1ADRB3TSPO | |
| SCHEMBL2172122 | 0.74 | GRM5 (0.39) | GRM5KCNH2ADRB3TSPOTMEM97 | |
| SCHEMBL23481090 | 0.73 | GRM5 (0.53) | GRM5KCNH2FFAR1ADRB3TSPO |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8481548-B2 | 2-[4-(2-chloro-pyridin-4-ylethynyl)-2-methyl-imidazol-1-yl]-4-trifluoromethyl-pyrimidine; metabotropic glutamate (mGluR5) receptor antagonist; analgesic, neurodegenerative diseases; psychosis, epilepsy, schizophrenia, Alzheimer' disease, cognititve disorders, memory deficits, chronic and acute pain | HOFFMAN-LA ROCHE INC. (US) | 2013-07-09 | — | — | US | disclosed |
| US-7973165-B2 | Imidazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-07-05 | — | — | US | disclosed |
| US-7531529-B2 | Imidazole derivatives | ROCHE PALO ALTO LLC (US) | 2009-05-12 | — | — | US | disclosed |
| US-20080119489-A1 | IMIDAZOLE DERIVATIVES | BUETTELMANN BERND | 2008-05-22 | — | — | US | disclosed |
| US-20080103306-A1 | IMIDAZOLE DERIVATIVES | BUETTELMANN BERND | 2008-05-01 | — | — | US | disclosed |
| US-7332510-B2 | Imidazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-02-19 | — | — | US | disclosed |
| EP-1636206-B1 | IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2007-10-31 | — | — | EP | disclosed |
| EP-1636206-A1 | IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-22 | — | — | EP | disclosed |
| US-20050143375-A1 | Imidazole derivatives | ROCHE PALO ALTO LLC | 2005-06-30 | — | — | US | disclosed |
| WO-2004108701-A1 | IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-12-16 | — | — | WO | disclosed |
| US-20040248888-A1 | Imidazole derivatives | F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) | 2004-12-09 | — | — | US | 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-20080119489-A1 | IMIDAZOLE DERIVATIVES | GRIK5, GRM5, GRIN2B | KCNH2 140/4885GRM5 2/4885FFAR1 487/4885 |
| US-20080103306-A1 | IMIDAZOLE DERIVATIVES | GRIK5, GRM5, GRIN2B | KCNH2 132/4885GRM5 2/4885FFAR1 461/4885 |
| US-20040248888-A1 | Imidazole derivatives | GRIK5, GRM5, GRIN2B | KCNH2 115/4885GRM5 2/4885FFAR1 440/4885 |
| US-20050143375-A1 | Imidazole derivatives | GRM5, GRIK5, GRM2 | KCNH2 1004/4885GRM5 1/4885FFAR1 581/4885 |
“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.