Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 3/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.37 |
| ▸ | IKBKB | O14920 | 6/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL13638531 | 0.91 | SYK (0.43) | HDAC6SYKHDAC8IKBKBROCK2 | |
| SCHEMBL13638590 | 0.90 | ROCK2 (0.38) | HDAC6SYKHDAC8IKBKBROCK2 | |
| SCHEMBL4481884 | 0.87 | SYK (0.41) | JAK2HDAC6SYKHDAC8IKBKB | |
| SCHEMBL13638538 | 0.86 | IKBKB (0.38) | HDAC8IKBKBMAPK8CHUK | |
| SCHEMBL13638438 | 0.86 | IKBKB (0.39) | HDAC6HDAC8IKBKBROCK2MAPK8 | |
| SCHEMBL13638540 | 0.85 | IKBKB (0.39) | HDAC6HDAC8IKBKBROCK2MAPK8 | |
| SCHEMBL13638679 | 0.85 | IKBKB (0.41) | IKBKBMAPK8CHUK | |
| SCHEMBL13638312 | 0.84 | IKBKB (0.39) | IKBKBROCK2MAPK8CHUK | |
| SCHEMBL13638536 | 0.84 | IKBKB (0.37) | HDAC8IKBKBMAPK8CHUK | |
| SCHEMBL13638437 | 0.84 | IKBKB (0.39) | HDAC8IKBKBMAPK8CHUKMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7615562-B2 | Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents | NOVARTIS AG (CH) | 2009-11-10 | — | — | US | disclosed |