Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 5/20 | 0.56 |
| ▸ | LCK | P06239 | 3/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.47 |
| ▸ | NOS2 | P35228 | 5/20 | 0.44 |
| ▸ | NOS1 | P29475 | 4/20 | 0.41 |
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.40 |
| ▸ | HCK | P08631 | 2/20 | 0.38 |
| ▸ | BTK | Q06187 | 2/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL793964 | 0.87 | ITK (0.56) | ITKLCKAURKBNOS2RORC | |
| SCHEMBL807716 | 0.82 | ITK (0.60) | ITKLCKAURKBRORCDHODH | |
| SCHEMBL2371312 | 0.81 | ITK (0.62) | ITKLCKAURKBBTKSMN1; SMN2 | |
| SCHEMBL2371318 | 0.81 | ITK (0.62) | ITKLCKAURKBBTKSMN1; SMN2 | |
| SCHEMBL3578949 | 0.76 | NOS2 (0.61) | NOS2NOS1NOS3RORCDHODH | |
| Hydrochloric Acid SCHEMBL9774607 | 0.76 | NOS2 (0.60) | NOS2NOS1NOS3RORCDHODH | |
| SCHEMBL807541 | 0.74 | ITK (0.55) | ITKLCKAURKBRORCDHODH | |
| SCHEMBL2394365 | 0.73 | ITK (0.61) | ITKLCKAURKBSSTR5BTK | |
| SCHEMBL2394354 | 0.73 | ITK (0.61) | ITKLCKAURKBSSTR5BTK | |
| SCHEMBL807822 | 0.72 | ITK (0.81) | ITKLCKAURKBRORCDHODH |
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 |