Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBK1 | Q9UHD2 | 7/20 | 0.54 |
| ▸ | KMO | O15229 | 1/20 | 0.46 |
| ▸ | IKBKE | Q14164 | 4/20 | 0.41 |
| ▸ | JAK2 | O60674 | 5/20 | 0.41 |
| ▸ | JAK3 | P52333 | 4/20 | 0.41 |
| ▸ | JAK1 | P23458 | 2/20 | 0.40 |
| ▸ | NEK3 | P51956 | 1/20 | 0.39 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.39 |
| ▸ | NEK5 | Q6P3R8 | 1/20 | 0.39 |
| ▸ | MYLK4 | Q86YV6 | 1/20 | 0.39 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.39 |
| ▸ | MAP3K14 | Q99558 | 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 | |
|---|---|---|---|---|
| SCHEMBL10080689 | 0.92 | TBK1 (0.53) | TBK1KMOIKBKEJAK2JAK3 | |
| SCHEMBL15307921 | 0.88 | TBK1 (0.49) | TBK1IKBKEJAK2JAK3NEK3 | |
| SCHEMBL16667407 | 0.84 | TBK1 (0.51) | TBK1KMOIKBKEJAK2JAK3 | |
| SCHEMBL459047 | 0.84 | TBK1 (0.49) | TBK1IKBKEJAK2JAK3NEK3 | |
| SCHEMBL434250 | 0.81 | TBK1 (0.58) | TBK1IKBKEJAK2MYLK4STK17A | |
| SCHEMBL16684089 | 0.80 | TBK1 (0.54) | TBK1IKBKEMAP3K14 | |
| SCHEMBL10080690 | 0.80 | TBK1 (0.53) | TBK1KMOIKBKEJAK2JAK3 | |
| SCHEMBL434437 | 0.79 | TBK1 (0.61) | TBK1JAK2JAK3JAK1STK17A | |
| SCHEMBL432472 | 0.79 | TBK1 (0.65) | TBK1JAK2JAK3JAK1 | |
| SCHEMBL15307922 | 0.78 | TBK1 (0.53) | TBK1KMOIKBKEMAP3K14 |
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-2012010826-A1 | PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DOMAINEX LIMITED (GB) | 2012-01-26 | — | — | WO | disclosed |