Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 13/20 | 0.61 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL306647 | 0.89 | ROCK2 (0.65) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL308100 | 0.82 | ROCK2 (0.66) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL307655 | 0.81 | ROCK2 (0.63) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL307660 | 0.79 | ROCK2 (0.62) | ROCK2ROCK1CYP3A4 | |
| SCHEMBL307404 | 0.79 | ROCK2 (0.64) | ROCK2NPC1CYP2C19RAB9AGAA | |
| SCHEMBL307096 | 0.78 | ROCK2 (0.78) | ROCK2NPC1CYP1A2CYP2C19RAB9A | |
| SCHEMBL10311072 | 0.76 | ROCK2 (1.00) | ROCK2NPC1CYP1A2CYP2C19RAB9A | |
| SCHEMBL10311071 | 0.76 | ROCK2 (1.00) | ROCK2NPC1CYP1A2CYP2C19RAB9A | |
| SCHEMBL306952 | 0.74 | ROCK2 (0.65) | ROCK2NPC1CYP1A2CYP2C19RAB9A | |
| SCHEMBL10070399 | 0.73 | ROCK2 (0.79) | ROCK2NPC1CYP1A2CYP2C19RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-8093266-B2 | Rho kinase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-10 | — | — | US | claimed |