Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 2/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.31 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.31 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.30 |
| ▸ | PIM1 | P11309 | 2/20 | 0.30 |
| ▸ | AKT1 | P31749 | 1/20 | 0.30 |
| ▸ | FLT3 | P36888 | 1/20 | 0.30 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.30 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.30 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12410480 | 0.77 | ADORA1 (0.38) | PARP1CYP1A2ADORA1ADORA2AIP6K1 | |
| SCHEMBL13627444 | 0.73 | PARP1 (0.36) | PARP1IP6K1CHEK1PIM1AKT1 | |
| SCHEMBL5763588 | 0.72 | PARP1 (0.37) | PARP1ADORA1DAOADORA2A | |
| SCHEMBL5765249 | 0.69 | HTT (0.41) | PARP1 | |
| SCHEMBL22283252 | 0.67 | PDE3B (0.46) | PARP1ADORA1CHEK1PIM1AKT1 | |
| SCHEMBL12410487 | 0.64 | LMNA (0.50) | CYP1A2KDM5BCHEK1 | |
| SCHEMBL26754441 | 0.62 | GABRR1 (0.41) | CYP1A2TMIGD3CYP2C9ADORA1PDE4A | |
| SCHEMBL15707647 | 0.62 | GSK3B (0.41) | PARP1KDM5BCHEK1PIM1AKT1 | |
| SCHEMBL9134716 | 0.61 | DAO (0.44) | PARP1DAO | |
| SCHEMBL1507437 | 0.61 | ALDH1A1 (0.43) | — |
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-1091738-B1 | BICYCLIC sPLA 2 INHIBITORS | LILLY CO ELI (US) | 2006-12-06 | — | — | EP | disclosed |
| US-6384041-B1 | ANTIINFLAMMATORY AGENT, TREATMENT OF SHOCK AND ENZYME INHIBITORS | ELI LILLY AND COMPANY | 2002-05-07 | — | — | US | disclosed |