Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 14/20 | 0.60 |
| ▸ | PIM1 | P11309 | 1/20 | 0.58 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.58 |
| ▸ | GSK3B | P49841 | 4/20 | 0.52 |
| ▸ | PRKCA | P17252 | 1/20 | 0.52 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.52 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.52 |
| ▸ | ATR | Q13535 | 1/20 | 0.51 |
| ▸ | GSK3A | P49840 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27786814 | 0.90 | CHEK1 (0.51) | CHEK1PIM1PIM3GSK3BPRKCA | |
| SCHEMBL13027571 | 0.85 | CHEK1 (0.60) | CHEK1PIM1PIM3GSK3BPRKCA | |
| SCHEMBL13027568 | 0.84 | CHEK1 (0.59) | CHEK1PIM1PIM3GSK3BPRKCA | |
| SCHEMBL13027569 | 0.84 | CHEK1 (0.60) | CHEK1PIM1PIM3GSK3BPRKCA | |
| SCHEMBL13027582 | 0.83 | CHEK1 (0.56) | CHEK1PIM1PIM3GSK3BPRKCA | |
| SCHEMBL13027434 | 0.82 | CHEK1 (0.64) | CHEK1PIM1PIM3GSK3BPRKCA | |
| SCHEMBL13027444 | 0.82 | PIM1 (0.57) | CHEK1PIM1PIM3GSK3BPRKCA | |
| SCHEMBL13027615 | 0.82 | PIM1 (0.57) | CHEK1PIM1PIM3GSK3BPRKCA | |
| SCHEMBL2900738 | 0.81 | BACE1 (0.56) | PIM1PIM3GSK3BPIM2GSK3A | |
| SCHEMBL13027637 | 0.81 | CHEK1 (0.58) | CHEK1PIM1PIM3GSK3BPRKCA |
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-2178861-B1 | HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2014-08-20 | — | — | EP | disclosed |