Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 15/20 | 0.57 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.49 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.42 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.42 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.42 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.42 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.42 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.42 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.42 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.42 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 2/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12211290 | 0.93 | ROCK1 (0.54) | ROCK1ROCK2KCNH2IKBKBPRKACA | |
| Sar-407899 Free Base SCHEMBL8934240 | 0.90 | ROCK1 (0.72) | ROCK1ROCK2KCNH2IKBKBPRKACA | |
| SCHEMBL14981035 | 0.88 | ROCK1 (0.49) | ROCK1ROCK2KCNH2 | |
| SCHEMBL8939214 | 0.85 | ROCK1 (0.54) | ROCK1ROCK2KCNH2 | |
| SCHEMBL8939223 | 0.82 | HRH3 (0.53) | ROCK1ROCK2KCNH2 | |
| SCHEMBL3372945 | 0.81 | ROCK1 (0.57) | ROCK1ROCK2KCNH2IKBKBPRKACA | |
| SCHEMBL8939216 | 0.81 | MAOA (0.53) | ROCK1ROCK2KCNH2 | |
| SCHEMBL13763597 | 0.79 | ROCK1 (0.54) | ROCK1ROCK2KCNH2IKBKBPRKACA | |
| SCHEMBL13763659 | 0.78 | ROCK1 (0.53) | ROCK1ROCK2KCNH2IKBKBPRKACA | |
| SCHEMBL8271650 | 0.78 | ALDH1A1 (0.46) | KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009005677-A2 | ANTIVIRAL COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2009-01-08 | — | — | WO | disclosed |