Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 5/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.34 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.34 |
| ▸ | AKT2 | P31751 | 1/20 | 0.34 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29894785 | 0.89 | AKT1 (0.42) | AKT1HRH3KCNH2JAK1RPS6KB1 | |
| SCHEMBL473320 | 0.89 | AKT1 (0.42) | AKT1HRH3KCNH2JAK1RPS6KB1 | |
| SCHEMBL473314 | 0.81 | AKT1 (0.40) | AKT1KCNH2JAK1RPS6KB1CHIT1 | |
| SCHEMBL473413 | 0.79 | AKT1 (0.38) | AKT1HRH3KCNH2JAK1RPS6KB1 | |
| SCHEMBL10159398 | 0.79 | AKT1 (0.49) | AKT1RPS6KB1AKT2AKT3 | |
| SCHEMBL473407 | 0.79 | JAK1 (0.38) | AKT1KCNH2JAK1RPS6KB1CHIT1 | |
| SCHEMBL473371 | 0.78 | AKT1 (0.38) | AKT1JAK1RPS6KB1AKT2AKT3 | |
| SCHEMBL29894894 | 0.77 | RPS6KB1 (0.37) | AKT1JAK1RPS6KB1AKT2 | |
| SCHEMBL473328 | 0.77 | RPS6KB1 (0.37) | AKT1JAK1RPS6KB1AKT2 | |
| SCHEMBL473436 | 0.76 | RPS6KB1 (0.37) | AKT1JAK1RPS6KB1CHIT1CHIA |
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-1848719-B1 | [1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]-PIPERIDINE OR -PIPERAZINE COMPOUNDS AS SERINE-THREONINE KINASE MODULATORS (P70S6K, ATK1 AND ATK2) FOR THE TREATMENT OF IMMUNOLOGICAL, INFLAMMATORY AND PROLIFERATIVE DISEASES | EXELIXIS INC (US) | 2012-02-01 | — | — | EP | disclosed |