Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT2 | P31751 | 12/20 | 0.48 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 3/20 | 0.45 |
| ▸ | JAK3 | P52333 | 5/20 | 0.45 |
| ▸ | KIT | P10721 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 6/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.44 |
| ▸ | AKT3 | Q9Y243 | 5/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | JAK2 | O60674 | 3/20 | 0.43 |
| ▸ | JAK1 | P23458 | 3/20 | 0.43 |
| ▸ | TYK2 | P29597 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL325228 | 0.90 | AKT2 (0.50) | AKT2RPS6KB1GSK3BJAK3KIT | |
| SCHEMBL324666 | 0.87 | JAK3 (0.52) | AKT2RPS6KB1JAK3KITAKT1 | |
| SCHEMBL322722 | 0.86 | AKT1 (0.54) | AKT2RPS6KB1GSK3BKITAKT1 | |
| SCHEMBL323269 | 0.85 | AKT2 (0.54) | AKT2RPS6KB1GSK3BJAK3KIT | |
| SCHEMBL324226 | 0.82 | AKT2 (0.49) | AKT2RPS6KB1JAK3KITAKT1 | |
| SCHEMBL323629 | 0.82 | JAK3 (0.45) | AKT2RPS6KB1GSK3BJAK3KIT | |
| SCHEMBL324613 | 0.82 | JAK3 (0.53) | AKT2JAK3AKT1ROCK2AKT3 | |
| SCHEMBL323241 | 0.82 | JAK3 (0.46) | AKT2GSK3BJAK3KITAKT1 | |
| SCHEMBL325110 | 0.82 | AKT1 (0.53) | AKT2JAK3AKT1ROCK2AKT3 | |
| SCHEMBL323781 | 0.82 | JAK3 (0.53) | AKT2JAK3AKT1ROCK2AKT3 |
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 4 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 | claimed |
| WO-2012003829-A1 | NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF | LEO PHARMA A/S (DK) | 2012-01-12 | — | — | WO | claimed |
| 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 |