Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT1 | P54687 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 4/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.38 |
| ▸ | IKBKE | Q14164 | 2/20 | 0.38 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.37 |
| ▸ | CDC7 | O00311 | 7/20 | 0.36 |
| ▸ | CDK2 | P24941 | 5/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.36 |
| ▸ | GSK3B | P49841 | 3/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.36 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.36 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.36 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4829590 | 0.86 | CDC7 (0.51) | BCAT1PIM1IKBKETBK1LRRK2 | |
| SCHEMBL8290891 | 0.81 | IKBKE (0.35) | PIM1IKBKETBK1LRRK2CDC7 | |
| SCHEMBL4831089 | 0.81 | BCAT1 (0.41) | BCAT1PIM1PIM3PIM2IKBKE | |
| SCHEMBL4831524 | 0.80 | BCAT1 (0.47) | BCAT1PIM1PIM3PIM2LRRK2 | |
| SCHEMBL4827673 | 0.80 | BCAT1 (0.42) | BCAT1PIM1PIM3PIM2LRRK2 | |
| SCHEMBL4831070 | 0.80 | BCAT1 (0.40) | BCAT1PIM1PIM3PIM2IKBKE | |
| SCHEMBL4833095 | 0.79 | PIM1 (0.46) | BCAT1PIM1PIM3PIM2CDK5 | |
| SCHEMBL8290902 | 0.79 | LRRK2 (0.44) | BCAT1PIM1PIM3PIM2IKBKE | |
| SCHEMBL4827516 | 0.79 | BCAT1 (0.39) | BCAT1PIM1PIM3PIM2IKBKE | |
| SCHEMBL4831060 | 0.79 | LRRK2 (0.40) | BCAT1PIM1PIM3PIM2IKBKE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7446199-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-11-04 | — | — | US | disclosed |
| US-7446199-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-11-04 | — | — | US | disclosed |
| WO-2005028475-A2 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-03-31 | — | — | WO | disclosed |