Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 6/20 | 0.61 |
| ▸ | DYRK2 | Q92630 | 3/20 | 0.61 |
| ▸ | RAF1 | P04049 | 2/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | AKT1 | P31749 | 2/20 | 0.45 |
| ▸ | AKT2 | P31751 | 2/20 | 0.45 |
| ▸ | KDR | P35968 | 2/20 | 0.45 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.45 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.45 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.45 |
| ▸ | NEK1 | Q96PY6 | 2/20 | 0.45 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29929309 | 0.87 | IKBKB (0.61) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| SCHEMBL29929446 | 0.81 | IKBKB (0.61) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| SCHEMBL29929396 | 0.80 | DYRK2 (0.65) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| SCHEMBL29928839 | 0.76 | IKBKB (1.00) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| SCHEMBL13719651 | 0.76 | IKBKB (1.00) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| SCHEMBL13719652 | 0.76 | IKBKB (1.00) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| SCHEMBL29929498 | 0.74 | DYRK2 (0.61) | IKBKBDYRK2RAF1RPS6KB1MAPK1 | |
| SCHEMBL13719950 | 0.72 | IKBKB (0.67) | IKBKBDYRK2ACHEPTGS2BCHE | |
| SCHEMBL13719949 | 0.72 | IKBKB (0.67) | IKBKBDYRK2ACHEPTGS2BCHE | |
| SCHEMBL13719528 | 0.71 | CYP1A2 (0.70) | IKBKBDYRK2RAF1RPS6KB1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115232068-A | Compound and preparation method and application thereof | 北京中医药大学 | 2022-10-25 | — | — | CN | disclosed |