Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 16/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4047255 | 0.89 | ROCK2 (0.38) | ADORA3ROCK2ADORA1ALDH1A1HPGD | |
| SCHEMBL3998824 | 0.87 | ADORA3 (0.40) | ADORA3ADORA1ALDH1A1HPGD | |
| SCHEMBL4049290 | 0.87 | ADORA3 (0.40) | ADORA3ADORA1ALDH1A1HPGD | |
| SCHEMBL4056868 | 0.81 | ADORA3 (0.43) | ADORA3ADORA1ALDH1A1HPGD | |
| SCHEMBL4051850 | 0.76 | ADORA3 (0.36) | ADORA3ROCK2ADORA1ALDH1A1HPGD | |
| SCHEMBL4047524 | 0.76 | P2RX7 (0.35) | ADORA3ROCK2ADORA1ALDH1A1HPGD | |
| SCHEMBL4048840 | 0.76 | KIF11 (0.39) | ADORA1 | |
| SCHEMBL4054101 | 0.75 | KIF11 (0.62) | — | |
| SCHEMBL4054103 | 0.75 | KIF11 (0.62) | — | |
| Hydrochloric Acid SCHEMBL4055318 | 0.75 | KIF11 (0.62) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009074677-A2 | PYRAZOLOTRIAZINES | 4SC AG (DE) | 2009-06-18 | — | — | WO | disclosed |
| EP-2070932-A1 | Pyrazolotriazines | 4SC AG (DE) | 2009-06-17 | — | — | EP | disclosed |