Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4659017 | 0.93 | ABL1 (0.31) | — | |
| SCHEMBL4658975 | 0.90 | CTRC (0.38) | — | |
| SCHEMBL4659140 | 0.85 | PTGS2 (0.37) | — | |
| SCHEMBL4660466 | 0.83 | CTSS (0.37) | MAPT | |
| SCHEMBL4658258 | 0.76 | KDM4E (0.44) | MAPT | |
| SCHEMBL4659206 | 0.75 | KMO (0.40) | KMOCYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL4658269 | 0.75 | KMO (0.40) | KMOCYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL3567440 | 0.74 | KMO (0.33) | KMOCYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL4657837 | 0.73 | PTGS2 (0.37) | MAPT | |
| SCHEMBL4659004 | 0.72 | KDM4E (0.43) | MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2001849-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110337-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | disclosed |