Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 4/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20932382 | 0.96 | PDK2 (0.43) | PDK2BACE1KCNH2DYRK1APIK3CA | |
| SCHEMBL20931659 | 0.96 | PDK2 (0.43) | PDK2BACE1KCNH2DYRK1APIK3CA | |
| SCHEMBL20932289 | 0.90 | PDK2 (0.37) | PDK2BACE1 | |
| SCHEMBL20932502 | 0.88 | PDK2 (0.45) | PDK2BACE1KCNH2CYP17A1CYP19A1 | |
| SCHEMBL20932114 | 0.88 | PDK2 (0.37) | PDK2KIF11BACE1KCNH2DYRK1A | |
| SCHEMBL20931906 | 0.88 | PDK2 (0.45) | PDK2BACE1KCNH2CYP17A1CYP19A1 | |
| SCHEMBL20932366 | 0.87 | PDK2 (0.33) | PDK2BACE1CLK4CYP3A4 | |
| SCHEMBL20931518 | 0.87 | PDK2 (0.33) | PDK2BACE1CLK4CYP3A4 | |
| SCHEMBL20931620 | 0.86 | MEN1 (0.33) | PDK2BACE1CLK4CYP3A4 | |
| SCHEMBL20931835 | 0.86 | MEN1 (0.33) | PDK2BACE1CLK4CYP3A4 |
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-2019078462-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2019-04-25 | — | — | WO | disclosed |