Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 17/20 | 0.82 |
| ▸ | JAK2 | O60674 | 14/20 | 0.72 |
| ▸ | JAK3 | P52333 | 12/20 | 0.72 |
| ▸ | TYK2 | P29597 | 6/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.69 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.61 |
| ▸ | MARK3 | P27448 | 2/20 | 0.61 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.61 |
| ▸ | STK3 | Q13188 | 2/20 | 0.61 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.61 |
| ▸ | CAMK2D | Q13557 | 2/20 | 0.61 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.61 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.61 |
| ▸ | MARK2 | Q7KZI7 | 2/20 | 0.61 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.61 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.61 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.61 |
| ▸ | ABL1 | P00519 | 1/20 | 0.61 |
| ▸ | LCK | P06239 | 1/20 | 0.61 |
| ▸ | FYN | P06241 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL16199676 | 1.00 | JAK1 (0.82) | JAK1JAK2JAK3TYK2KCNH2 | |
| SCHEMBL15077601 | 1.00 | JAK1 (0.82) | JAK1JAK2JAK3TYK2KCNH2 | |
| SCHEMBL15077677 | 0.90 | JAK1 (1.00) | JAK1JAK2JAK3TYK2KCNH2 | |
| SCHEMBL15077590 | 0.90 | JAK1 (1.00) | JAK1JAK2JAK3TYK2KCNH2 | |
| SCHEMBL16192213 | 0.87 | JAK1 (0.81) | JAK1JAK2JAK3TYK2KCNH2 | |
| SCHEMBL15077609 | 0.86 | JAK1 (0.74) | JAK1JAK2JAK3TYK2KCNH2 | |
| SCHEMBL15077598 | 0.85 | JAK1 (0.68) | JAK1JAK2JAK3TYK2KCNH2 | |
| SCHEMBL15077664 | 0.85 | JAK1 (0.68) | JAK1JAK2JAK3TYK2KCNH2 | |
| SCHEMBL16228097 | 0.85 | JAK1 (0.68) | JAK1JAK2JAK3TYK2KCNH2 | |
| SCHEMBL21385277 | 0.85 | JAK1 (0.75) | JAK1JAK2JAK3TYK2KCNH2 |
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-2796460-A1 | PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICINAL USES THEREOF | Jiangsu Hengrui Medicine Co. Ltd. (CN) | 2014-10-29 | — | — | EP | disclosed |