Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | MERTK | Q12866 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13628828 | 0.83 | ADORA3 (0.35) | ADORA2AADORA1ADORA3ADORA2BSCD5 | |
| SCHEMBL13628827 | 0.83 | NUAK1 (0.32) | TDP1ALDH1A1 | |
| SCHEMBL2922408 | 0.79 | ADORA2A (0.41) | ADORA2AADORA1ADORA3ADORA2BSCD5 | |
| SCHEMBL13628834 | 0.78 | ADORA3 (0.38) | ADORA2AADORA1ADORA3ADORA2BTDP1 | |
| SCHEMBL13628819 | 0.78 | CNR1 (0.43) | ADORA2AADORA1ADORA3ADORA2BSCD5 | |
| SCHEMBL2925658 | 0.65 | CNR2 (0.43) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL13628832 | 0.63 | TRPC5 (0.38) | TDP1ALDH1A1 | |
| SCHEMBL13628825 | 0.61 | CYP1A2 (0.37) | ALDH1A1TP53 | |
| SCHEMBL2927404 | 0.61 | CNR2 (0.38) | ALDH1A1 | |
| SCHEMBL7093005 | 0.59 | SCD5 (0.55) | ADORA2AADORA1ADORA3ADORA2BSCD5 |
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 |