Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBK1 | Q9UHD2 | 17/20 | 0.57 |
| ▸ | IKBKE | Q14164 | 16/20 | 0.57 |
| ▸ | SMG1 | Q96Q15 | 1/20 | 0.53 |
| ▸ | IKBKB | O14920 | 1/20 | 0.52 |
| ▸ | JAK2 | O60674 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL12801583 | 0.92 | IKBKE (0.56) | TBK1IKBKEJAK2 | |
| SCHEMBL12801120 | 0.92 | IKBKE (0.57) | TBK1IKBKEJAK2 | |
| SCHEMBL12801266 | 0.91 | IKBKE (0.54) | TBK1IKBKE | |
| SCHEMBL12801135 | 0.90 | IKBKE (0.56) | TBK1IKBKEJAK2 | |
| SCHEMBL12801392 | 0.90 | IKBKE (0.56) | TBK1IKBKEJAK2 | |
| SCHEMBL12522270 | 0.89 | IKBKE (0.55) | TBK1IKBKEJAK2 | |
| SCHEMBL12801215 | 0.89 | IKBKE (0.54) | TBK1IKBKEJAK2 | |
| SCHEMBL12800939 | 0.89 | IKBKE (0.54) | TBK1IKBKEJAK2 | |
| SCHEMBL12801677 | 0.88 | ABL1 (0.53) | TBK1IKBKE | |
| SCHEMBL12801078 | 0.88 | IKBKE (0.61) | TBK1IKBKEJAK2 |
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-2011046970-A1 | AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON | MYREXIS, INC. (US) | 2011-04-21 | — | — | WO | disclosed |