Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 4/20 | 0.36 |
| ▸ | TYMP | P19971 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4658033 | 0.86 | RAD51 (0.38) | ATMMAPTCCNT1CCNA2CDK2 | |
| SCHEMBL4659132 | 0.83 | MCHR1 (0.36) | ATMMEN1GAAMAPTMAPK1 | |
| SCHEMBL4659271 | 0.82 | RAD51 (0.40) | ATMMEN1GAAMAPTMAPK1 | |
| SCHEMBL4657991 | 0.82 | KDM4E (0.40) | ATMMEN1GAAMAPTMAPK1 | |
| SCHEMBL3561571 | 0.77 | KIF11 (0.47) | KIF11GFERKDM4E | |
| SCHEMBL4659355 | 0.75 | TLR8 (0.34) | ATMMEN1GAAMAPTMAPK1 | |
| SCHEMBL4659182 | 0.74 | ALOX5 (0.44) | GAAMAPTNPSR1KDM4E | |
| SCHEMBL28500357 | 0.73 | KIF11 (0.58) | ATMMEN1MAPTMAPK1KMT2A | |
| SCHEMBL4659069 | 0.73 | RAD51 (0.43) | ATMMAPTMAPK1CCNT1CCNA2 | |
| SCHEMBL4659091 | 0.72 | IDO1 (0.46) | MEN1KMT2ANPSR1TYMPCXCR2 |
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 |