Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | NPBWR1 | P48145 | 3/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | TOP1 | P11387 | 1/20 | 0.36 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
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 | 0.78 | RAD51 (0.38) | KIF11NPBWR1CCNT1CCNA2CDK2 | |
| SCHEMBL4660317 | 0.77 | NISCH (0.43) | NISCHNPC1RAB9AKDM4EMAPT | |
| SCHEMBL772274 | 0.76 | NISCH (0.58) | NISCHKIF11MRGPRX4TRPV1GFER | |
| SCHEMBL3565690 | 0.76 | S1PR1 (0.53) | KIF11CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL3570446 | 0.75 | KIF11 (0.51) | KIF11TOP1NPC1RAB9A | |
| SCHEMBL3569141 | 0.74 | SYK (0.49) | KIF11CDK2TOP1NPC1RAB9A | |
| SCHEMBL3563087 | 0.74 | IDO1 (0.39) | KIF11CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL4660235 | 0.73 | DHODH (0.38) | KIF11NPBWR1CCNT1CCNA2CDK2 | |
| SCHEMBL3572125 | 0.73 | CCNT1 (0.45) | KIF11CCNT1CCNA2CDK2CDK9 | |
| SCHEMBL4659327 | 0.72 | TOP1 (0.42) | KIF11MRGPRX4TOP1KDM4EATM |
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 |