Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 2/20 | 0.56 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | DTYMK | P23919 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL807716 | 0.95 | ITK (0.60) | ITKCCNA2CDK2LCKAURKB | |
| SCHEMBL793965 | 0.87 | ITK (0.56) | ITKLCKAURKBRORCDHODH | |
| SCHEMBL807541 | 0.84 | ITK (0.55) | ITKCCNA2CDK2LCKAURKB | |
| SCHEMBL2371312 | 0.81 | ITK (0.62) | ITKLCKAURKBNPC1RAB9A | |
| SCHEMBL2371318 | 0.81 | ITK (0.62) | ITKLCKAURKBNPC1RAB9A | |
| SCHEMBL807822 | 0.80 | ITK (0.81) | ITKCCNA2CDK2LCKAURKB | |
| SCHEMBL807926 | 0.80 | ITK (0.59) | ITKLCKAURKBRORCDHODH | |
| SCHEMBL807803 | 0.80 | ITK (0.58) | ITKCCNA2CDK2LCKAURKB | |
| SCHEMBL3578949 | 0.73 | NOS2 (0.61) | RORCDHODHALDH1A1POLBNOS2 | |
| SCHEMBL25232028 | 0.72 | GPR119 (0.51) | ALDH1A1POLBDTYMKHTTGPR119 |
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 |