Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HAO1 | Q9UJM8 | 2/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL29640799 | 0.88 | ACACB (0.36) | HAO1HCRTR1HCRTR2PDE10AROCK2 | |
| SCHEMBL29627898 | 0.87 | HAO1 (0.39) | HAO1HCRTR1HCRTR2PDE10AROCK2 | |
| Trifluoroacetic Acid SCHEMBL29640908 | 0.86 | KDM1A (0.34) | HAO1HCRTR1HCRTR2PDE10AROCK2 | |
| Trifluoroacetic Acid SCHEMBL29908226 | 0.85 | ACACB (0.40) | HAO1HCRTR1HCRTR2PDE10AROCK2 | |
| SCHEMBL29908258 | 0.83 | ROCK2 (0.44) | PDE10AROCK2ROCK1ACACBGRIN1 | |
| SCHEMBL29627921 | 0.81 | ROCK2 (0.38) | PDE10AROCK2ROCK1KDR | |
| SCHEMBL29627883 | 0.81 | ACACB (0.46) | PDE10AROCK2ROCK1ACACBGRIN1 | |
| Trifluoroacetic Acid SCHEMBL29628004 | 0.81 | ROCK2 (0.37) | HAO1ROCK2ACACB | |
| SCHEMBL29908262 | 0.80 | ROCK2 (0.39) | ROCK2ROCK1MAPK1GRIN1GRIN2B | |
| SCHEMBL29627719 | 0.80 | ROCK2 (0.53) | ROCK2ROCK1GRIN1GRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| CN-114502163-A | Ethynylheterocycles as RHO-related coiled coil kinase (ROCK) inhibitors | 安吉昂生物医药公司 | 2022-05-13 | — | — | CN | disclosed |