Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 3/20 | 0.41 |
| ▸ | LCK | P06239 | 2/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 3/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL807917 | 0.77 | LCK (0.39) | ITKLCKAURKBRORCDHODH | |
| SCHEMBL179069 | 0.75 | ITK (0.61) | ITKLCKAURKB | |
| SCHEMBL807803 | 0.74 | ITK (0.58) | ITKLCKAURKBBRD4RORC | |
| SCHEMBL12470060 | 0.73 | LCK (0.47) | ITKLCKAURKBRORCDHODH | |
| SCHEMBL141393 | 0.68 | ITK (0.59) | ITKLCKAURKBRORCDHODH | |
| SCHEMBL141392 | 0.68 | ITK (0.59) | ITKLCKAURKBRORCDHODH | |
| SCHEMBL807802 | 0.66 | NPC1 (0.47) | ITKLCKAURKBBRD4NPC1 | |
| SCHEMBL807946 | 0.66 | ITK (0.58) | ITKLCKAURKBRORCDHODH | |
| SCHEMBL138603 | 0.66 | ITK (0.71) | ITKLCKAURKBRORCDHODH | |
| SCHEMBL807540 | 0.66 | ITK (0.46) | 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 |