Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.57 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | CSF1R | P07333 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | FLT1 | P17948 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.44 |
| ▸ | FLT4 | P35916 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28049266 | 0.86 | NPC1 (0.58) | ROCK2ROCK1NPC1KMT2AMEN1 | |
| SCHEMBL16005929 | 0.80 | ROCK2 (0.61) | ROCK2ROCK1NPC1KMT2AMEN1 | |
| SCHEMBL3110341 | 0.80 | ROCK1 (0.67) | ROCK2ROCK1PPARGRPS6KA5MAP4K4 | |
| SCHEMBL28627369 | 0.77 | TGM2 (0.48) | ROCK2ROCK1NPC1KMT2AMEN1 | |
| SCHEMBL31398654 | 0.75 | LMNA (0.53) | ROCK2ROCK1NPC1ALDH1A1LMNA | |
| SCHEMBL25375819 | 0.75 | GAA (0.50) | ROCK2ROCK1NPC1KMT2AMEN1 | |
| SCHEMBL19658634 | 0.75 | L3MBTL1 (0.50) | ROCK2ROCK1KMT2AMEN1ALDH1A1 | |
| SCHEMBL16005932 | 0.74 | ROCK2 (1.00) | ROCK2ROCK1 | |
| SCHEMBL9199701 | 0.74 | NPC1 (0.66) | ROCK2ROCK1NPC1KMT2AMEN1 | |
| SCHEMBL19652063 | 0.73 | MEN1 (0.50) | ROCK2ROCK1KMT2AMEN1ALDH1A1 |
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-105358547-B | Phenylpyrazole derivatives as ROCK1 and ROCK2 inhibitor | 百时美施贵宝公司 | 2018-04-03 | — | — | CN | disclosed |
| CN-105358547-A | Phenylpyrazole derivatives as potent rock1 and rock2 inhibitors | BRISTOL MYERS SQUIBB CO | 2016-02-24 | — | — | CN | disclosed |