Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TOP1 | P11387 | 1/20 | 0.36 |
| ▸ | SDHB | P21912 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4658311 | 0.90 | KDM4E (0.52) | KDM4EHSD17B10ALDH1A1MAPK1MAPT | |
| SCHEMBL4657739 | 0.88 | KDM4E (0.53) | KDM4EHSD17B10ALDH1A1MAPK1MEN1 | |
| SCHEMBL4659091 | 0.87 | IDO1 (0.46) | KDM4EHSD17B10ALDH1A1MEN1KMT2A | |
| SCHEMBL4659069 | 0.86 | RAD51 (0.43) | KDM4EADORA3MAPK1MAPTATM | |
| SCHEMBL3635260 | 0.86 | PTGS2 (0.39) | PTGS2 | |
| SCHEMBL4657891 | 0.86 | KDM4E (0.39) | KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL4657944 | 0.85 | KDM4E (0.40) | KDM4EHSD17B10ALDH1A1 | |
| SCHEMBL4658083 | 0.84 | KDM4E (0.45) | KDM4EADORA3HSD17B10ALDH1A1MAPK1 | |
| SCHEMBL4659144 | 0.83 | SDHB (0.36) | KDM4EHSD17B10ALDH1A1ATMSDHB | |
| SCHEMBL4659271 | 0.82 | RAD51 (0.40) | KDM4EADORA3MAPK1MEN1GAA |
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 |