Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.39 |
| ▸ | PRKACA | P17612 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | MARK3 | P27448 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | FLT4 | P35916 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL14374646 | 0.89 | HTR2C (0.39) | MAPK1ROCK2ROCK1HTR2AHTR2C | |
| SCHEMBL14347542 | 0.81 | ROCK2 (0.36) | MAPK1ROCK2ROCK1HTR2AHTR2C | |
| SCHEMBL14374782 | 0.74 | PDE10A (0.41) | HTR2AHTR2CHTR2BMAT2AMAPT | |
| SCHEMBL14374643 | 0.74 | CCR1 (0.40) | MAPK1HTR2AHTR2CHTR2BMAT2A | |
| SCHEMBL14374820 | 0.70 | AURKA (0.40) | MAPK1ROCK2ROCK1HTR2AHTR2C | |
| SCHEMBL14347562 | 0.69 | HTR2A (0.36) | HTR2AHTR2CHTR2BDYRK1AADORA3 | |
| SCHEMBL25703672 | 0.68 | ALKBH5 (0.47) | HTR2AHTR2CHTR2BMAPT | |
| SCHEMBL12650509 | 0.65 | PDE3B (0.41) | MAPK1ROCK2ROCK1HTR2AHTR2C | |
| SCHEMBL14374602 | 0.65 | MAT2A (0.49) | MAPK1MAT2AALDH1A1MAPT | |
| Ammonia Solution, Strong SCHEMBL905803 | 0.64 | HTR2A (0.66) | ROCK2ROCK1HTR2AHTR2CHTR2B |
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-7312211-B2 | Pryanone compounds useful as reversible inhibitors of cysteine proteases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2007-12-25 | — | — | US | disclosed |