Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.49 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.40 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21765944 | 0.84 | IRAK4 (0.48) | AAK1IRAK4TGFBR1TGFBR2PIM1 | |
| SCHEMBL18654925 | 0.84 | IRAK4 (0.48) | AAK1IRAK4TGFBR1TGFBR2PIM1 | |
| SCHEMBL18654880 | 0.84 | IRAK4 (0.48) | AAK1IRAK4TGFBR1TGFBR2PIM1 | |
| SCHEMBL14897035 | 0.83 | AAK1 (0.49) | AAK1IRAK4MCHR1HRH4HRH3 | |
| SCHEMBL14897378 | 0.80 | AAK1 (0.47) | AAK1IRAK4MCHR1 | |
| SCHEMBL14897173 | 0.80 | IRAK4 (0.46) | AAK1IRAK4MCHR1HRH4HRH3 | |
| SCHEMBL16193168 | 0.80 | IRAK4 (0.45) | AAK1IRAK4MAP4K4MCHR1HRH4 | |
| SCHEMBL14897382 | 0.80 | AAK1 (0.47) | AAK1IRAK4MCHR1 | |
| SCHEMBL14897439 | 0.80 | IRAK4 (0.47) | AAK1IRAK4MCHR1HRH4HRH3 | |
| SCHEMBL14896770 | 0.79 | AAK1 (0.45) | AAK1IRAK4MCHR1HRH4HRH3 |
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-2768509-B1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2017-03-22 | — | — | EP | disclosed |