Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 11/20 | 0.46 |
| ▸ | AKT1 | P31749 | 8/20 | 0.45 |
| ▸ | AKT2 | P31751 | 5/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | AKT3 | Q9Y243 | 4/20 | 0.45 |
| ▸ | JAK2 | O60674 | 7/20 | 0.44 |
| ▸ | JAK1 | P23458 | 7/20 | 0.44 |
| ▸ | TYK2 | P29597 | 5/20 | 0.44 |
| ▸ | KIT | P10721 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL322722 | 0.92 | AKT1 (0.54) | AKT1AKT2ROCK2KCNH2AKT3 | |
| SCHEMBL323781 | 0.91 | JAK3 (0.53) | JAK3AKT1AKT2ROCK2KCNH2 | |
| SCHEMBL325110 | 0.91 | AKT1 (0.53) | JAK3AKT1AKT2ROCK2KCNH2 | |
| SCHEMBL324613 | 0.91 | JAK3 (0.53) | JAK3AKT1AKT2ROCK2KCNH2 | |
| SCHEMBL324666 | 0.91 | JAK3 (0.52) | JAK3AKT1AKT2ROCK2KCNH2 | |
| SCHEMBL323926 | 0.88 | AKT1 (0.55) | JAK3AKT1AKT2ROCK2KCNH2 | |
| SCHEMBL324306 | 0.88 | KIT (0.52) | JAK3AKT1AKT2ROCK2KCNH2 | |
| SCHEMBL323886 | 0.88 | AKT2 (0.51) | JAK3AKT1AKT2ROCK2KCNH2 | |
| SCHEMBL324213 | 0.88 | JAK3 (0.55) | JAK3AKT1AKT2ROCK2KCNH2 | |
| SCHEMBL324757 | 0.88 | AKT1 (0.56) | JAK3AKT1AKT2ROCK2KCNH2 |
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-2590981-A1 | NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF | Leo Pharma A/S (DK) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012003829-A1 | NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF | LEO PHARMA A/S (DK) | 2012-01-12 | — | — | WO | disclosed |