Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 12/20 | 0.57 |
| ▸ | ROCK1 | Q13464 | 10/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.45 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.43 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18685059 | 0.84 | KMT2A (0.49) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL18685134 | 0.84 | ROCK2 (0.52) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL18685219 | 0.84 | KMT2A (0.54) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL18685127 | 0.84 | KMT2A (0.54) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL18685188 | 0.81 | LMNA (0.48) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL18685285 | 0.78 | ROCK2 (0.62) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL16005920 | 0.78 | ROCK2 (0.62) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL18685069 | 0.74 | ROCK2 (0.50) | ROCK2ROCK1ALDH1A1LMNANPC1 | |
| SCHEMBL16005921 | 0.73 | ROCK2 (1.00) | ROCK2ROCK1 | |
| SCHEMBL17439948 | 0.73 | ROCK2 (1.00) | ROCK2ROCK1 |
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-2961745-B1 | PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-03-29 | — | — | EP | disclosed |