Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | ECE1 | P42892 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13628837 | 0.83 | ADORA2A (0.39) | ADORA3ADORA2AADORA1ADORA2BTDP1 | |
| SCHEMBL2925658 | 0.78 | CNR2 (0.43) | ADORA3ADORA2AADORA1ADORA2BECE1 | |
| SCHEMBL13628832 | 0.77 | TRPC5 (0.38) | TDP1ALDH1A1CNR2 | |
| SCHEMBL2922408 | 0.65 | ADORA2A (0.41) | ADORA3ADORA2AADORA1ADORA2BCCNA2 | |
| SCHEMBL13628819 | 0.63 | CNR1 (0.43) | ADORA3ADORA2AADORA1ADORA2BALDH1A1 | |
| SCHEMBL13628834 | 0.63 | ADORA3 (0.38) | ADORA3ADORA2AADORA1ADORA2BTDP1 | |
| SCHEMBL11873293 | 0.61 | ADORA2A (0.38) | ADORA3ADORA2AADORA1ADORA2BTDP1 | |
| SCHEMBL13628839 | 0.59 | PDE2A (0.34) | ALDH1A1TP53CNR2 | |
| SCHEMBL11866327 | 0.59 | MAPT (0.45) | ADORA2AADORA1TDP1ALDH1A1PLA2G2A | |
| SCHEMBL11868665 | 0.58 | ADORA2A (0.43) | ADORA3ADORA2AADORA1ADORA2BCNR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |