Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 9/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17453005 | 0.80 | ROCK2 (0.51) | ROCK2ROCK1MAPTMAPK1SMN1; SMN2 | |
| SCHEMBL16377362 | 0.78 | ROCK2 (0.70) | ROCK2ROCK1 | |
| SCHEMBL19902553 | 0.77 | ROCK2 (0.53) | ROCK2ROCK1AAK1KMT2A | |
| SCHEMBL16377301 | 0.77 | ROCK2 (0.74) | ROCK2ROCK1 | |
| SCHEMBL18901287 | 0.76 | AAK1 (0.53) | ROCK2ROCK1AAK1 | |
| SCHEMBL17452501 | 0.74 | ROCK2 (0.41) | ROCK2ROCK1HPGDALDH1A1AAK1 | |
| SCHEMBL2708372 | 0.72 | CYP19A1 (0.41) | ROCK2LMNAALDH1A1AAK1MEN1 | |
| SCHEMBL17783532 | 0.70 | ROCK2 (1.00) | ROCK2ROCK1 | |
| SCHEMBL17995060 | 0.69 | GABRG2 (0.43) | MAPTSMN1; SMN2ALDH1A1KDM4EPOLB | |
| SCHEMBL18901207 | 0.69 | ROCK2 (0.84) | 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-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |