Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT2 | P31751 | 13/20 | 0.50 |
| ▸ | AKT1 | P31749 | 11/20 | 0.50 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.49 |
| ▸ | GSK3B | P49841 | 5/20 | 0.46 |
| ▸ | KIT | P10721 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.45 |
| ▸ | AKT3 | Q9Y243 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 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 | |
|---|---|---|---|---|
| SCHEMBL323282 | 0.90 | AKT2 (0.48) | AKT2AKT1RPS6KB1GSK3BKIT | |
| SCHEMBL322722 | 0.87 | AKT1 (0.54) | AKT2AKT1RPS6KB1GSK3BKIT | |
| SCHEMBL324666 | 0.83 | JAK3 (0.52) | AKT2AKT1RPS6KB1KITROCK2 | |
| SCHEMBL323241 | 0.81 | JAK3 (0.46) | AKT2AKT1GSK3BKITROCK2 | |
| SCHEMBL323781 | 0.81 | JAK3 (0.53) | AKT2AKT1ROCK2KCNH2AKT3 | |
| SCHEMBL325110 | 0.81 | AKT1 (0.53) | AKT2AKT1ROCK2KCNH2AKT3 | |
| SCHEMBL324613 | 0.81 | JAK3 (0.53) | AKT2AKT1ROCK2KCNH2AKT3 | |
| SCHEMBL15987941 | 0.80 | JAK3 (0.45) | AKT2RPS6KB1GSK3BKITJAK3 | |
| SCHEMBL323269 | 0.80 | AKT2 (0.54) | AKT2AKT1RPS6KB1GSK3BKIT | |
| SCHEMBL323421 | 0.80 | AKT1 (0.45) | AKT2AKT1RPS6KB1ROCK2KCNH2 |
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 |