Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14894091 | 0.91 | CIT (0.38) | NUDT1PTK2ROCK1JAK2JAK1 | |
| SCHEMBL14894279 | 0.90 | NUDT1 (0.38) | NUDT1ROCK1JAK2JAK1TYK2 | |
| SCHEMBL14894259 | 0.89 | BTK (0.40) | NUDT1PTK2ROCK1JAK2JAK1 | |
| SCHEMBL14894074 | 0.89 | TSHR (0.41) | NUDT1TSHRHSD17B10PTK2ROCK1 | |
| SCHEMBL14893875 | 0.88 | JAK2 (0.39) | NUDT1PTK2ROCK1JAK2JAK1 | |
| SCHEMBL14907667 | 0.88 | NUDT1 (0.39) | NUDT1HSD17B10PTK2ROCK1JAK2 | |
| SCHEMBL14907815 | 0.87 | SMN1; SMN2 (0.43) | NUDT1HSD17B10ROCK1JAK2JAK1 | |
| SCHEMBL14894275 | 0.84 | PTPN1 (0.42) | NUDT1ROCK1JAK2JAK1TYK2 | |
| SCHEMBL14907987 | 0.84 | ALDH1A1 (0.37) | NUDT1TSHRROCK1JAK2JAK1 | |
| SCHEMBL16107726 | 0.79 | CIT (0.39) | NUDT1PTK2ROCK1JAK2JAK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013062945-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2013-05-02 | — | — | WO | disclosed |