Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.44 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 6/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.41 |
| ▸ | CDK9 | P50750 | 3/20 | 0.41 |
| ▸ | CDC7 | O00311 | 2/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.41 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.41 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 4/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.38 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.38 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.36 |
| ▸ | GSK3B | P49841 | 3/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | STK3 | Q13188 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4827652 | 0.86 | NEK1 (0.45) | CDK2CCNT1CDK9MAP4K4GSK3B | |
| SCHEMBL4829590 | 0.86 | CDC7 (0.51) | LRRK2BCAT1CDK2CCNT1CDK9 | |
| SCHEMBL4827673 | 0.85 | BCAT1 (0.42) | LRRK2BCAT1CDK2CCNT1CDK9 | |
| SCHEMBL4831549 | 0.83 | CDK2 (0.50) | LRRK2BCAT1CDK2CCNT1CDK9 | |
| SCHEMBL4872228 | 0.83 | JAK2 (0.50) | LRRK2BCAT1CDK2CCNT1CDK9 | |
| SCHEMBL4824451 | 0.83 | BCAT1 (0.41) | LRRK2BCAT1CDK2CCNT1CDK9 | |
| SCHEMBL4831134 | 0.83 | DYRK1A (0.42) | LRRK2BCAT1CDK2CDC7PIM1 | |
| SCHEMBL4827380 | 0.81 | NTRK1 (0.50) | CDK2CCNT1CDK9NTRK1AXL | |
| SCHEMBL8290894 | 0.81 | RPS6KA5 (0.45) | LRRK2CDK9CDC7RPS6KA5PIM1 | |
| SCHEMBL4831294 | 0.81 | AXL (0.56) | MAP4K4GSK3BCLK4IRAK4ROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1664043-B1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2007-11-14 | — | — | EP | disclosed |
| WO-2005028475-A2 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-03-31 | — | — | WO | disclosed |