Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAD51 | Q06609 | 1/20 | 0.40 |
| ▸ | TOP1 | P11387 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 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 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 1/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.35 |
| ▸ | TYMP | P19971 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4659182 | 0.91 | ALOX5 (0.44) | MAPTTP53KDM4EGAANPSR1 | |
| SCHEMBL4660284 | 0.82 | ATM (0.36) | RAD51GFERPOLBMAPTCCNT1 | |
| SCHEMBL4657991 | 0.82 | KDM4E (0.40) | RAD51TOP1ADORA3MAPTTP53 | |
| SCHEMBL4658033 | 0.81 | RAD51 (0.38) | RAD51GFERPOLBMAPTCCNT1 | |
| SCHEMBL4659069 | 0.81 | RAD51 (0.43) | RAD51TOP1GFERADORA3POLB | |
| SCHEMBL4659132 | 0.81 | MCHR1 (0.36) | GFERMAPTCTSSCCNT1CCNA2 | |
| SCHEMBL3568189 | 0.78 | TOP1 (0.45) | RAD51TOP1GFERADORA3POLB | |
| SCHEMBL3560972 | 0.77 | TOP1 (0.46) | RAD51TOP1ADORA3CTSSCTSK | |
| SCHEMBL4658988 | 0.73 | CTSS (0.39) | RAD51TOP1GFERADORA3POLB | |
| SCHEMBL20414972 | 0.72 | POLB (0.44) | RAD51TOP1GFERADORA3POLB |
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 |