Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 5/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.49 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | IDH1 | O75874 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 2/20 | 0.45 |
| ▸ | CHUK | O15111 | 2/20 | 0.45 |
| ▸ | IKBKG | Q9Y6K9 | 2/20 | 0.45 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 3/20 | 0.44 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3302676 | 0.90 | AURKA (0.49) | AURKAAURKBMAPK8MAPTMEN1 | |
| SCHEMBL3295630 | 0.90 | AURKA (0.49) | AURKAAURKBMAPK8MAPTMEN1 | |
| SCHEMBL3295636 | 0.90 | AURKA (0.49) | AURKAAURKBMAPK8MAPTMEN1 | |
| SCHEMBL3298031 | 0.85 | MAPT (0.50) | AURKAAURKBMAPK8MAPTMEN1 | |
| SCHEMBL3300384 | 0.85 | MAPT (0.50) | AURKAAURKBMAPK8MAPTMEN1 | |
| SCHEMBL3298028 | 0.85 | MAPT (0.50) | AURKAAURKBMAPK8MAPTMEN1 | |
| SCHEMBL3301899 | 0.82 | CDK2 (0.54) | AURKAAURKBMAPK8MAPTMEN1 | |
| SCHEMBL14095887 | 0.80 | GRM5 (0.66) | AURKAAURKBMAPK8MAPTMEN1 | |
| SCHEMBL3299161 | 0.79 | CDK2 (0.47) | AURKAAURKBMAPK8MAPTMEN1 | |
| SCHEMBL14095933 | 0.78 | MAPT (0.50) | MAPTMEN1KMT2ANPC1LMNA |
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-2009056693-A1 | NOVEL DERIVATIVES OF N, N'- 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS MEDICAMENTS PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2009-05-07 | — | — | WO | disclosed |