Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TOP1 | P11387 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4659153 | 0.89 | ADORA3 (0.39) | ADORA3KDM4ELMNAKMT2ATOP1 | |
| SCHEMBL4658083 | 0.84 | KDM4E (0.45) | ADORA3KDM4EKMT2ATOP1ALDH1A1 | |
| SCHEMBL4659163 | 0.82 | RAD51 (0.40) | ADORA3KDM4ELMNATOP1AHR | |
| SCHEMBL3556930 | 0.75 | ADORA3 (0.41) | ADORA3KDM4EKMT2ATOP1ALDH1A1 | |
| SCHEMBL3565791 | 0.75 | KIF11 (0.51) | ADORA3KDM4ELMNAKMT2ATOP1 | |
| SCHEMBL4659010 | 0.72 | KDM4E (0.53) | KDM4ELMNAKMT2AALDH1A1MEN1 | |
| SCHEMBL3566162 | 0.72 | ADORA3 (0.42) | ADORA3KDM4ELMNAKMT2ATOP1 | |
| SCHEMBL3558725 | 0.72 | ADORA3 (0.42) | ADORA3KDM4ELMNAKMT2ATOP1 | |
| SCHEMBL4657839 | 0.72 | IDO1 (0.46) | KDM4ELMNAKMT2AALDH1A1MEN1 | |
| SCHEMBL27724899 | 0.71 | GFER (0.46) | KDM4EGFERTRPV1ATMNPBWR1 |
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 |