Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.53 |
| ▸ | AKT1 | P31749 | 1/20 | 0.53 |
| ▸ | AKT2 | P31751 | 1/20 | 0.53 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.53 |
| ▸ | JAK3 | P52333 | 19/20 | 0.51 |
| ▸ | JAK1 | P23458 | 4/20 | 0.51 |
| ▸ | TYK2 | P29597 | 4/20 | 0.51 |
| ▸ | JAK2 | O60674 | 3/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1048032 | 0.89 | JAK3 (0.48) | JAK3JAK1TYK2JAK2LCK | |
| SCHEMBL1047339 | 0.82 | ROCK2 (0.46) | ROCK2AKT1AKT2AKT3JAK3 | |
| SCHEMBL1049059 | 0.81 | ROCK2 (0.55) | ROCK2AKT1AKT2AKT3JAK3 | |
| SCHEMBL323632 | 0.79 | JAK3 (0.52) | ROCK2AKT1AKT2AKT3JAK3 | |
| SCHEMBL323133 | 0.79 | JAK3 (0.52) | ROCK2AKT1AKT2AKT3JAK3 | |
| SCHEMBL1050011 | 0.78 | JAK3 (0.52) | ROCK2AKT1AKT2AKT3JAK3 | |
| SCHEMBL1046507 | 0.78 | AKT1 (0.45) | AKT1JAK3JAK2LCK | |
| SCHEMBL323751 | 0.76 | JAK3 (0.51) | AKT2JAK3JAK2LCK | |
| SCHEMBL1050622 | 0.75 | JAK3 (0.59) | JAK3JAK1TYK2JAK2LCK | |
| SCHEMBL324666 | 0.74 | JAK3 (0.52) | ROCK2AKT1AKT2AKT3JAK3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2451813-A1 | HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS | Leo Pharma A/S (DK) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011003418-A1 | HETEROCYCLIC COMPOUNDS AS JAK RECEPTOR AND PROTEIN TYROSINE KINASE INHIBITORS | LEO PHARMA A/S (DK) | 2011-01-13 | — | — | WO | disclosed |