Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.53 |
| ▸ | AKT2 | P31751 | 2/20 | 0.50 |
| ▸ | AKT1 | P31749 | 1/20 | 0.50 |
| ▸ | BTK | Q06187 | 1/20 | 0.44 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.43 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | MELK | Q14680 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GRK2 | P25098 | 1/20 | 0.39 |
| ▸ | GRK1 | Q15835 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30697305 | 0.84 | ALDH1A1 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19IKBKB | |
| SCHEMBL5014782 | 0.84 | ALDH1A1 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19IKBKB | |
| SCHEMBL30393911 | 0.82 | ALDH1A1 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19IKBKB | |
| SCHEMBL3782732 | 0.81 | CYP3A4 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19IKBKB | |
| SCHEMBL3716304 | 0.80 | CTNNB1 (0.52) | ROCK2AKT2AKT1ROCK1MELK | |
| SCHEMBL18783247 | 0.79 | AKT2 (0.50) | ROCK2AKT2AKT1BTKTNK2 | |
| SCHEMBL30394034 | 0.79 | CYP3A4 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19IKBKB | |
| SCHEMBL3722814 | 0.79 | ROCK2 (0.60) | ROCK2AKT2AKT1ROCK1MELK | |
| SCHEMBL3656438 | 0.78 | ALDH1A1 (0.67) | ROCK2ROCK1CHEK1MELKCYP3A4 | |
| SCHEMBL3793152 | 0.78 | MAOA (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19IKBKB |
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-2234618-A1 | BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS | The Scripps Research Institute (US) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009079008-A1 | BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS | FENG YANGBO (US) | 2009-06-25 | — | — | WO | disclosed |