Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.31 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22355758 | 0.82 | ROCK2 (0.42) | ROCK2 | |
| SCHEMBL22355723 | 0.80 | ROCK2 (0.55) | ROCK2RAB9ANPC1TP53MAPT | |
| SCHEMBL24742987 | 0.77 | MALT1 (0.38) | EGLN1 | |
| SCHEMBL22355668 | 0.77 | ROCK2 (0.42) | ROCK2MAPTSCN5ASCN9A | |
| SCHEMBL24742761 | 0.77 | HTT (0.43) | RAB9ANPC1MAPTTSHREGLN1 | |
| SCHEMBL22355703 | 0.75 | ROCK2 (0.44) | ROCK2 | |
| SCHEMBL29442927 | 0.74 | ROCK2 (0.58) | ROCK2 | |
| SCHEMBL21490350 | 0.74 | ROCK2 (0.58) | ROCK2 | |
| SCHEMBL22355760 | 0.73 | ROCK2 (0.47) | ROCK2 | |
| SCHEMBL22355724 | 0.73 | ROCK2 (0.47) | ROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3481817-B1 | SPIROLACTAMS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2020-08-19 | — | — | EP | disclosed |