Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIMK1 | P53667 | 12/20 | 0.69 |
| ▸ | ROCK2 | O75116 | 8/20 | 0.69 |
| ▸ | JAK2 | O60674 | 5/20 | 0.58 |
| ▸ | JAK3 | P52333 | 4/20 | 0.58 |
| ▸ | KIT | P10721 | 1/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.55 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.55 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.50 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.48 |
| ▸ | PAK4 | O96013 | 1/20 | 0.48 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.48 |
| ▸ | PRKACA | P17612 | 1/20 | 0.48 |
| ▸ | LTK | P29376 | 1/20 | 0.48 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.48 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.48 |
| ▸ | CDK8 | P49336 | 1/20 | 0.48 |
| ▸ | CLK2 | P49760 | 1/20 | 0.48 |
| ▸ | GSK3A | P49840 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3126315 | 0.83 | LIMK1 (1.00) | LIMK1ROCK2ROCK1LIMK2 | |
| SCHEMBL15032863 | 0.81 | JAK3 (0.68) | LIMK1ROCK2JAK2JAK3KIT | |
| SCHEMBL15010414 | 0.80 | JAK2 (0.55) | LIMK1ROCK2JAK2JAK3KIT | |
| SCHEMBL4007170 | 0.80 | JAK2 (0.55) | LIMK1ROCK2JAK2JAK3KIT | |
| SCHEMBL28045814 | 0.78 | KIT (0.67) | LIMK1ROCK2JAK2JAK3KIT | |
| SCHEMBL22609954 | 0.78 | CHUK (0.63) | LIMK1ROCK2 | |
| SCHEMBL20184432 | 0.76 | JAK3 (0.68) | LIMK1ROCK2JAK2JAK3 | |
| SCHEMBL19616376 | 0.75 | LIMK1 (1.00) | LIMK1ROCK2KITROCK1LIMK2 | |
| SCHEMBL15032680 | 0.74 | JAK3 (1.00) | JAK2JAK3 | |
| SCHEMBL13695778 | 0.74 | LRRK2 (0.55) | LIMK1ROCK2KITROCK1LRRK2 |
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-2788000-B1 | PYRROLOPYRIMIDINES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-05-30 | — | — | EP | disclosed |