Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 9/20 | 0.49 |
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | CHUK | O15111 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | G6PD | P11413 | 1/20 | 0.44 |
| ▸ | IDE | P14735 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2577731 | 0.86 | G6PD (0.53) | LRRK2IKBKBCHUKPTGS2G6PD | |
| SCHEMBL903994 | 0.81 | LRRK2 (0.49) | LRRK2PTGS2KIF11 | |
| SCHEMBL5072719 | 0.80 | TDP1 (0.48) | — | |
| SCHEMBL17674151 | 0.80 | LRRK2 (0.46) | LRRK2IKBKBCHUKPTGS2KIF11 | |
| SCHEMBL8320176 | 0.79 | MEN1 (0.56) | LRRK2DHFRPTGS2G6PDIDE | |
| SCHEMBL3583094 | 0.78 | AR (0.53) | — | |
| SCHEMBL31037588 | 0.77 | CYP3A4 (0.46) | KIF11 | |
| SCHEMBL14496780 | 0.76 | G6PD (0.49) | LRRK2IKBKBCHUKPTGS2G6PD | |
| SCHEMBL5302056 | 0.75 | MCL1 (0.50) | IKBKB | |
| SCHEMBL14191689 | 0.74 | TSHR (0.48) | — |
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-2007025575-A1 | O-HYDROXY- AND O-AMINO BENZAMIDE DERIVATIVES AS IKK2 INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-03-08 | — | — | WO | disclosed |