Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 17/20 | 0.43 |
| ▸ | ITK | Q08881 | 1/20 | 0.37 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | SIK1 | P57059 | 1/20 | 0.35 |
| ▸ | SIK2 | Q9H0K1 | 1/20 | 0.35 |
| ▸ | SIK3 | Q9Y2K2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4593293 | 0.85 | KDR (0.41) | KDRMAP3K12AURKAFLT3 | |
| SCHEMBL4594092 | 0.80 | NSD2 (0.49) | KDR | |
| SCHEMBL4587627 | 0.77 | KDR (0.49) | KDR | |
| SCHEMBL4592899 | 0.75 | KDR (0.47) | KDR | |
| SCHEMBL4594057 | 0.74 | KDR (0.49) | KDRITK | |
| SCHEMBL4585902 | 0.74 | KDR (0.45) | KDRITK | |
| SCHEMBL4593040 | 0.73 | KDR (0.41) | KDRITK | |
| SCHEMBL4593037 | 0.73 | KDR (0.41) | KDRITK | |
| SCHEMBL4593764 | 0.73 | KDR (0.42) | KDRITK | |
| SCHEMBL4593593 | 0.72 | KDR (0.42) | KDRMAP3K12AURKAFLT3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1558609-A4 | KINASE INHIBITORS | MERCK & CO INC (US) | 2008-05-28 | — | — | EP | disclosed |
| EP-1558609-A2 | KINASE INHIBITORS | Merck & Co., Inc. (US) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004041164-A2 | KINASE INHIBITORS | MERCK & CO., INC. (US) | 2004-05-21 | — | — | WO | disclosed |