Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 7/20 | 0.57 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.44 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.43 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | CTSA | P10619 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4527223 | 0.82 | AAK1 (0.53) | ROCK2ROCK1SMN1; SMN2MAPTLMNA | |
| SCHEMBL4530746 | 0.81 | ROCK2 (0.44) | ROCK2ROCK1SMN1; SMN2AAK1PSEN1 | |
| SCHEMBL4528048 | 0.77 | ROCK2 (0.45) | ROCK2ROCK1SMN1; SMN2MAPTLMNA | |
| SCHEMBL4532514 | 0.75 | ROCK1 (0.44) | ROCK2ROCK1SMN1; SMN2LMNAMEN1 | |
| SCHEMBL20576592 | 0.74 | MEN1 (0.56) | SMN1; SMN2LMNAMEN1KMT2ACYP3A4 | |
| SCHEMBL16498403 | 0.74 | AAK1 (0.58) | ROCK2ROCK1SMN1; SMN2LMNACYP3A4 | |
| SCHEMBL6128275 | 0.74 | KMT2A (0.49) | SMN1; SMN2KMT2ARAB9ACTSA | |
| SCHEMBL20661153 | 0.73 | ROCK2 (1.00) | ROCK2ROCK1 | |
| SCHEMBL22036153 | 0.71 | ROCK2 (0.54) | ROCK2ROCK1SMN1; SMN2LMNAAAK1 | |
| SCHEMBL27946378 | 0.71 | ROCK1 (0.66) | ROCK2ROCK1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1922306-A2 | AMIDE DERIVATIVES AS ROCK INHIBITORS | Astellas Pharma Inc. (JP) | 2008-05-21 | — | — | EP | disclosed |
| WO-2007026920-A2 | AMIDE DERIVATIVES AS ROCK INHIBITORS | ASTELLAS PHARMA INC. (JP) | 2007-03-08 | — | — | WO | disclosed |