Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 2/20 | 0.43 |
| ▸ | RET | P07949 | 8/20 | 0.40 |
| ▸ | CDK1 | P06493 | 7/20 | 0.39 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.39 |
| ▸ | CDC7 | O00311 | 3/20 | 0.39 |
| ▸ | JAK2 | O60674 | 3/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.39 |
| ▸ | PIM1 | P11309 | 3/20 | 0.39 |
| ▸ | PRKACA | P17612 | 3/20 | 0.39 |
| ▸ | FLT3 | P36888 | 3/20 | 0.39 |
| ▸ | GSK3B | P49841 | 3/20 | 0.39 |
| ▸ | JAK3 | P52333 | 3/20 | 0.39 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.39 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.39 |
| ▸ | HIPK2 | Q9H2X6 | 3/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 3/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 3/20 | 0.39 |
| ▸ | AKT3 | Q9Y243 | 3/20 | 0.39 |
| ▸ | INSR | P06213 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4481970 | 0.88 | AR (0.47) | ARRETCDK1CCNB1CDC7 | |
| SCHEMBL13638549 | 0.88 | RET (0.46) | ARRETCDK1CCNB1CDC7 | |
| SCHEMBL13638322 | 0.85 | RET (0.35) | ARRETCDK1CCNB1CDC7 | |
| SCHEMBL13638328 | 0.85 | RET (0.45) | ARRETCDK1CCNB1CDC7 | |
| SCHEMBL13638485 | 0.85 | RET (0.41) | ARRETCDK1CCNB1CDC7 | |
| SCHEMBL13638484 | 0.85 | MAPK8 (0.46) | RETCDK1CCNB1CDC7JAK2 | |
| SCHEMBL13638447 | 0.83 | RET (0.39) | RETCDK1CCNB1CDC7JAK2 | |
| SCHEMBL13638546 | 0.82 | RET (0.46) | RETCDK1CCNB1CDC7JAK2 | |
| SCHEMBL13638444 | 0.81 | DYRK1A (0.48) | ARRETCDK1CCNB1CDC7 | |
| SCHEMBL13638597 | 0.81 | RET (0.45) | RETCDK1CCNB1CDC7JAK2 |
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 |