Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.36 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | TOP1 | P11387 | 2/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3570446 | 0.82 | KIF11 (0.51) | DHODHKIF11LTB4RTOP1GRM2 | |
| SCHEMBL3562880 | 0.80 | MEN1 (0.44) | KIF11RAD51LTB4R | |
| SCHEMBL3571995 | 0.80 | DHODH (0.42) | DHODHKIF11LTB4RXDHCCNT1 | |
| SCHEMBL31061141 | 0.79 | NPBWR1 (0.46) | DHODHCCNT1CCNA2CDK2CDK9 | |
| SCHEMBL3570034 | 0.79 | NPBWR1 (0.46) | DHODHCCNT1CCNA2CDK2CDK9 | |
| SCHEMBL3561762 | 0.78 | DGAT1 (0.48) | KIF11DGAT1KCNH2CDK2 | |
| SCHEMBL4658033 | 0.78 | RAD51 (0.38) | KIF11DGAT1KCNH2TNKSTNKS2 | |
| SCHEMBL3558408 | 0.77 | LTA4H (0.53) | CYP3A4 | |
| SCHEMBL3565709 | 0.77 | MGLL (0.47) | DHODHKIF11LTB4RTOP1 | |
| SCHEMBL3569367 | 0.77 | KIF11 (0.48) | KIF11XDHIDO1 |
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 4 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 | claimed |
| WO-2007110337-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-10-04 | — | — | WO | claimed |
| 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 |