Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 6/20 | 0.33 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.32 |
| ▸ | MTOR | P42345 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2175491 | 0.69 | PTGS2 (0.43) | ALDH1A1POLBGRM5HKDC1GABRA2 | |
| SCHEMBL3545007 | 0.65 | OPRL1 (0.45) | POLB | |
| SCHEMBL4630708 | 0.61 | GRM5 (0.46) | POLBGRM5HKDC1GABRA2GABRB2 | |
| SCHEMBL2171789 | 0.61 | GRM5 (0.43) | GRM5GABRA2GABRB2PTGS2PTGS1 | |
| SCHEMBL2175859 | 0.60 | GRM5 (0.36) | POLBGRM5GABRA2GABRB2PTGS2 | |
| SCHEMBL28800177 | 0.60 | NOTUM (0.49) | POLBGRM5PTGS2TSHRHTT | |
| SCHEMBL25252943 | 0.58 | ALDH1A1 (0.40) | ALDH1A1POLBGABRA2GABRB2PTGS2 | |
| SCHEMBL2173893 | 0.58 | GRM5 (0.56) | POLBGRM5GABRA2GABRB2PTGS2 | |
| SCHEMBL3954089 | 0.58 | PTGS2 (0.39) | POLBPTGS2TSHRHTTSMN1; SMN2 | |
| SCHEMBL20929479 | 0.57 | ALDH1A1 (0.56) | ALDH1A1PTGS2SMN1; SMN2 |
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 10 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 |
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-20080119489-A1 | IMIDAZOLE DERIVATIVES | GRIK5, GRM5, GRIN2B | ALDH1A1 1806/4885POLB 4582/4885GRM5 2/4885 |
| US-20080103306-A1 | IMIDAZOLE DERIVATIVES | GRIK5, GRM5, GRIN2B | ALDH1A1 1839/4885POLB 4419/4885GRM5 2/4885 |
| US-20050143375-A1 | Imidazole derivatives | GRM5, GRIK5, GRM2 | ALDH1A1 1322/4885POLB 4425/4885GRM5 1/4885 |
“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.