Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.59 |
| ▸ | PAK4 | O96013 | 1/20 | 0.54 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.54 |
| ▸ | BRD4 | O60885 | 3/20 | 0.51 |
| ▸ | ATAD2 | Q6PL18 | 2/20 | 0.51 |
| ▸ | AXL | P30530 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.44 |
| ▸ | MERTK | Q12866 | 1/20 | 0.44 |
| ▸ | GAS6 | Q14393 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | TRIM58 | Q8NG06 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.42 |
| ▸ | VCP | P55072 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13402933 | 0.89 | HRH4 (0.55) | HRH4PAK4PAK1ROCK2VCP | |
| SCHEMBL13403220 | 0.85 | CDC7 (0.51) | HRH4PAK4PAK1ROCK2VCP | |
| SCHEMBL13493639 | 0.84 | HRH4 (0.50) | HRH4PAK4PAK1ROCK2VCP | |
| SCHEMBL761678 | 0.79 | HRH4 (0.54) | HRH4PAK4PAK1BRD4ATAD2 | |
| Hydrochloric Acid SCHEMBL6152965 | 0.78 | HRH4 (0.54) | HRH4PAK4PAK1BRD4ATAD2 | |
| SCHEMBL1914496 | 0.78 | HRH4 (0.51) | HRH4PAK4PAK1BRD4ATAD2 | |
| SCHEMBL6508763 | 0.77 | IKBKB (0.58) | HRH4BRD4ATAD2FLT3CDK2 | |
| SCHEMBL27886899 | 0.77 | HRH4 (0.50) | HRH4PAK4PAK1BRD4ATAD2 | |
| SCHEMBL27886901 | 0.76 | HRH4 (0.52) | HRH4PAK4PAK1BRD4ATAD2 | |
| Hydrochloric Acid SCHEMBL6582848 | 0.75 | BRD4 (0.50) | HRH4PAK4PAK1BRD4ATAD2 |
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-1379520-B1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2006-04-26 | — | — | EP | disclosed |