Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 12/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 12/20 | 0.44 |
| ▸ | CDC42BPB | Q9Y5S2 | 12/20 | 0.44 |
| ▸ | CDC42BPA | Q5VT25 | 4/20 | 0.44 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.40 |
| ▸ | STK3 | Q13188 | 2/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | ROS1 | P08922 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | MARK3 | P27448 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | MAP3K10 | Q02779 | 1/20 | 0.40 |
| ▸ | MELK | Q14680 | 1/20 | 0.40 |
| ▸ | MARK4 | Q96L34 | 1/20 | 0.40 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.40 |
| ▸ | SIK2 | Q9H0K1 | 1/20 | 0.40 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5075075 | 0.79 | RPS6KA5 (0.41) | ROCK2ROCK1CDC42BPBCDC42BPARPS6KA5 | |
| SCHEMBL14236254 | 0.76 | LATS1 (0.41) | ROCK2ROCK1CDC42BPBCDC42BPARPS6KA5 | |
| SCHEMBL16343917 | 0.69 | GSK3B (0.47) | ROCK2ROCK1CDC42BPBCDC42BPAJAK3 | |
| SCHEMBL19068207 | 0.68 | NTRK1 (0.53) | ROCK2ROCK1CDC42BPBCDC42BPAKIT | |
| SCHEMBL14237922 | 0.67 | LATS1 (0.49) | ROCK2ROCK1CDC42BPBCDC42BPARPS6KA5 | |
| SCHEMBL14236205 | 0.67 | RPS6KA5 (0.47) | ROCK2ROCK1RPS6KA5CDC7FLT3 | |
| SCHEMBL19068211 | 0.67 | AXL (0.59) | ROCK2LRRK2STK3CDC7ROS1 | |
| SCHEMBL19068203 | 0.67 | NTRK1 (0.54) | KITCDK8 | |
| SCHEMBL19325116 | 0.66 | KMT2A (0.49) | ROCK2ROCK1FLT3 | |
| SCHEMBL18235303 | 0.66 | CHKA (0.50) | ROCK2ROCK1CDC42BPBCDC42BPA |
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-2532667-A1 | Deazapurines useful as inhibitors of janus kinases | Vertex Pharmaceuticals Incorporated (US) | 2012-12-12 | — | — | EP | disclosed |