Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 4/20 | 0.37 |
| ▸ | WNT1 | P04628 | 3/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | PI4KA | P42356 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 9/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | TTK | P33981 | 1/20 | 0.34 |
| ▸ | CLK2 | P49760 | 1/20 | 0.33 |
| ▸ | CLK3 | P49761 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | PIKFYVE | Q9Y2I7 | 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 | |
|---|---|---|---|---|
| SCHEMBL22229615 | 0.93 | PIM1 (0.35) | DYRK1AWNT1PIK3CDPIK3CAPIK3CB | |
| SCHEMBL30189524 | 0.93 | PIM1 (0.35) | DYRK1AWNT1PIK3CDPIK3CAPIK3CB | |
| SCHEMBL28448673 | 0.89 | ROCK2 (0.40) | DYRK1AWNT1LRRK2GSK3BHDAC1 | |
| SCHEMBL22229630 | 0.83 | ROCK2 (0.37) | DYRK1AWNT1LRRK2GSK3BHDAC1 | |
| SCHEMBL30189535 | 0.83 | ROCK2 (0.37) | DYRK1AWNT1LRRK2GSK3BHDAC1 | |
| SCHEMBL28897458 | 0.81 | MAPT (0.46) | ROCK2 | |
| SCHEMBL28437048 | 0.80 | GRM4 (0.44) | KDM1AROCK2 | |
| SCHEMBL28443783 | 0.80 | KDM4E (0.42) | ROCK2 | |
| SCHEMBL28897461 | 0.80 | GRM4 (0.34) | ROCK2 | |
| SCHEMBL28451045 | 0.79 | ROCK2 (0.48) | DYRK1AROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111406051-A | Vinylheterocycles as RHO-associated coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2020-07-10 | — | — | CN | claimed |
| CN-111406051-A | Vinylheterocycles as RHO-associated coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2020-07-10 | — | — | CN | disclosed |