Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 2/20 | 0.81 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | HCK | P08631 | 2/20 | 0.38 |
| ▸ | BTK | Q06187 | 2/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 5/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.37 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 2/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20767484 | 0.90 | ITK (1.00) | ITKLCKAURKBHCKBTK | |
| SCHEMBL20767486 | 0.90 | ITK (1.00) | ITKLCKAURKBHCKBTK | |
| SCHEMBL20767487 | 0.90 | ITK (1.00) | ITKLCKAURKBHCKBTK | |
| SCHEMBL25069003 | 0.86 | ITK (0.76) | ITKLCKAURKBHCKBTK | |
| SCHEMBL23409058 | 0.86 | ITK (0.76) | ITKLCKAURKBHCKBTK | |
| SCHEMBL25069001 | 0.85 | ITK (0.75) | ITKLCKAURKBHCKBTK | |
| SCHEMBL25069002 | 0.85 | ITK (0.75) | ITKLCKAURKBHCKBTK | |
| SCHEMBL807716 | 0.85 | ITK (0.60) | ITKADORA2AADORA2BADORA3LCK | |
| SCHEMBL807926 | 0.85 | ITK (0.59) | ITKADORA2AADORA2BADORA3LCK | |
| SCHEMBL807803 | 0.84 | ITK (0.58) | ITKADORA2AADORA2BADORA3LCK |
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-2012035055-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-03-22 | — | — | WO | disclosed |