Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1699007 | 0.83 | PTGS2 (0.43) | PTGS2ALDH1A1 | |
| SCHEMBL16044269 | 0.83 | PTGS2 (0.59) | PTGS2ALDH1A1GABRA2GABRB2PTGS1 | |
| SCHEMBL4630708 | 0.74 | GRM5 (0.46) | PTGS2GRM5GABRA2GABRB2NR3C1 | |
| SCHEMBL2171789 | 0.70 | GRM5 (0.43) | PTGS2GRM5GABRA2GABRB2NR3C1 | |
| SCHEMBL2173893 | 0.70 | GRM5 (0.56) | PTGS2GRM5GABRA2GABRB2NR3C1 | |
| SCHEMBL20929479 | 0.69 | ALDH1A1 (0.56) | PTGS2ALDH1A1NR3C1NR3C2SMN1; SMN2 | |
| SCHEMBL2175529 | 0.69 | ALDH1A1 (0.34) | PTGS2GRM5ALDH1A1GABRA2GABRB2 | |
| SCHEMBL14701726 | 0.67 | P2RX7 (0.68) | PTGS2PTGS1POLB | |
| SCHEMBL3954089 | 0.67 | PTGS2 (0.39) | PTGS2PTGS1LMNAMAPTPOLB | |
| SCHEMBL871832 | 0.66 | — | — |
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 17 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 |
| EP-1606277-B8 | IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-10-15 | — | — | EP | disclosed |
| US-20080119489-A1 | IMIDAZOLE DERIVATIVES | BUETTELMANN BERND | 2008-05-22 | — | — | US | disclosed |
| EP-1606277-B1 | IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2008-05-14 | — | — | EP | 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 |
| US-7153874-B2 | Imidazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-12-26 | — | — | US | disclosed |
| EP-1636206-A1 | IMIDAZOLE DERIVATIVES AS GLUTMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-22 | — | — | EP | disclosed |
| EP-1606277-A1 | IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-21 | — | — | 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 |
| US-20040229917-A1 | Imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2004-11-18 | — | — | US | disclosed |
| WO-2004080998-A1 | IMIDAZOL-4-YL-ETHYNYL-PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-23 | — | — | 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 (5 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 | PTGS2 514/4885GRM5 2/4885ALDH1A1 1806/4885 |
| US-20080103306-A1 | IMIDAZOLE DERIVATIVES | GRIK5, GRM5, GRIN2B | PTGS2 407/4885GRM5 2/4885ALDH1A1 1839/4885 |
| US-20040229917-A1 | Imidazole derivatives | GRIK4, GRIA4, GRIK5 | PTGS2 1285/4885GRM5 10/4885ALDH1A1 2213/4885 |
| US-20040248888-A1 | Imidazole derivatives | GRIK5, GRM5, GRIN2B | PTGS2 175/4885GRM5 2/4885ALDH1A1 1092/4885 |
| US-20050143375-A1 | Imidazole derivatives | GRM5, GRIK5, GRM2 | PTGS2 583/4885GRM5 1/4885ALDH1A1 1322/4885 |
“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.