Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 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 | |
|---|---|---|---|---|
| SCHEMBL4658988 | 0.86 | CTSS (0.39) | TLR8PTGS2PTGS1KDM4EALDH1A1 | |
| SCHEMBL4657757 | 0.85 | PTGS2 (0.41) | TLR8PTGS2PTGS1KDM4EALDH1A1 | |
| SCHEMBL4660466 | 0.79 | CTSS (0.37) | TLR8PTGS2PTGS1KDM4EALDH1A1 | |
| SCHEMBL4657815 | 0.77 | PTGS2 (0.39) | PTGS2PTGS1 | |
| SCHEMBL4659004 | 0.77 | KDM4E (0.43) | PTGS2PTGS1KDM4EALDH1A1ADORA2A | |
| SCHEMBL4658258 | 0.76 | KDM4E (0.44) | PTGS2PTGS1KDM4EALDH1A1ADORA3 | |
| SCHEMBL4657837 | 0.76 | PTGS2 (0.37) | PTGS2PTGS1ALDH1A1CTSSCTSK | |
| SCHEMBL4659140 | 0.76 | PTGS2 (0.37) | PTGS2PTGS1KDM4EALDH1A1CTSS | |
| SCHEMBL4660284 | 0.75 | ATM (0.36) | KDM4EMEN1GAAMAPTMAPK1 | |
| SCHEMBL3568140 | 0.72 | TLR8 (0.36) | TLR8PTGS2PTGS1KDM4EALDH1A1 |
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 |