Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 12/20 | 0.61 |
| ▸ | CYP1B1 | Q16678 | 12/20 | 0.61 |
| ▸ | MAOB | P27338 | 3/20 | 0.60 |
| ▸ | P4HB | P07237 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.51 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.51 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.51 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3563636 | 1.00 | CYP1A1 (0.61) | CYP1A1CYP1B1MAOBP4HBCES2 | |
| SCHEMBL7228800 | 0.84 | CES2 (0.59) | CYP1A1CYP1B1MAOBP4HBCES2 | |
| SCHEMBL28873661 | 0.82 | ALDH1A1 (0.59) | — | |
| SCHEMBL28305244 | 0.82 | THRB (0.47) | CYP1A1CYP1B1MAOBP4HB | |
| SCHEMBL11092190 | 0.81 | CYP1A1 (0.65) | CYP1A1CYP1B1MAOBP4HBCES2 | |
| SCHEMBL11092186 | 0.81 | CYP1A1 (0.65) | CYP1A1CYP1B1MAOBP4HBCES2 | |
| SCHEMBL29275425 | 0.80 | CYP1A1 (0.56) | CYP1A1CYP1B1MAOBP4HBCES2 | |
| SCHEMBL325284 | 0.80 | ALDH1A1 (0.68) | CYP1A1CYP1B1MAOBP4HB | |
| SCHEMBL325285 | 0.80 | ALDH1A1 (0.68) | CYP1A1CYP1B1MAOBP4HB | |
| SCHEMBL11816722 | 0.79 | CYP1A1 (0.87) | CYP1A1CYP1B1MAOBP4HBCXCL12 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2001849-B1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2014-11-26 | — | — | EP | disclosed |
| EP-2468727-A1 | Pyridine and pyrimidine derivatives as MGLUR2 antagonists | F. Hoffmann-La Roche AG (CH) | 2012-06-27 | — | — | EP | disclosed |
| US-8183262-B2 | Central nervous system disorders; metabotropic glutamate receptors (mGluR); 2-(4-Pyridin-3-yl-imidazol-1-yl)-4-trifluoromethyl-6-(4-trifluoromethyl-phenyl)-pyrimidine | HOFFMANN-LA ROCHE INC. (US) | 2012-05-22 | — | — | US | disclosed |
| US-7642264-B2 | Phenyl-substituted pyrimidine derivatives as mGluR antagonists | HOFFMAN-LA ROCHE INC. (US) | 2010-01-05 | — | — | US | disclosed |
| US-20090318474-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS | GATTI MCARTHUR SILVIA | 2009-12-24 | — | — | US | disclosed |
| US-20070232583-A1 | Pyridine and pyrimidine derivatives as mGIuR2 antagonists | HOFFMANN-LA ROCHE INC. | 2007-10-04 | — | — | 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 (2 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-20070232583-A1 | Pyridine and pyrimidine derivatives as mGIuR2 antagonists | P2RX2, P2RY2, P2RX1 | CYP1A1 1556/4885CYP1B1 668/4885MAOB 155/4885 |
| US-20090318474-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR 2 ANTAGONISTS | GRM2, GRM1, GRM3 | CYP1A1 2671/4885CYP1B1 1705/4885MAOB 705/4885 |
“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.