Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7197832 | 0.96 | GPR84 (0.43) | PARP1ADORA3ADORA2AADORA1HCAR2 | |
| SCHEMBL8326986 | 0.82 | NOS1 (0.54) | HCAR2POLBPDE5APDE4APDE4B | |
| SCHEMBL9706231 | 0.78 | PARP1 (0.54) | PARP1GSK3BHCAR2PDE4APDE4B | |
| SCHEMBL8501957 | 0.78 | PARP1 (0.60) | PARP1POLBGLATSHR | |
| SCHEMBL246326 | 0.78 | PDE5A (0.53) | HCAR2POLBPDE5APDE4APDE4B | |
| SCHEMBL9376221 | 0.77 | PARP1 (0.46) | PARP1GSK3BPOLBTSHR | |
| SCHEMBL9844319 | 0.77 | PARP1 (0.63) | PARP1GSK3BHCAR2 | |
| SCHEMBL9844054 | 0.74 | HCAR2 (0.71) | PARP1HCAR2 | |
| Alcohol SCHEMBL27310243 | 0.74 | PARP1 (0.56) | PARP1POLBGLATSHR | |
| SCHEMBL1586540 | 0.74 | PARP1 (0.55) | PARP1POLBGLATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0481614-A1 | Substituted pyridopyrimidinones and related heterocycles as angiotensin II antagonists | MERCK & CO. INC. (US) | 1992-04-22 | — | — | EP | disclosed |