Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBK1 | Q9UHD2 | 12/20 | 0.55 |
| ▸ | IKBKE | Q14164 | 3/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.44 |
| ▸ | CDK2 | P24941 | 2/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.40 |
| ▸ | STK17A | Q9UEE5 | 3/20 | 0.39 |
| ▸ | MARK4 | Q96L34 | 2/20 | 0.39 |
| ▸ | MARK3 | P27448 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | STK17B | O94768 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | VHL | P40337 | 1/20 | 0.32 |
| ▸ | ELOC | Q15369 | 1/20 | 0.32 |
| ▸ | ELOB | Q15370 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | IGF1R | P08069 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17162049 | 0.94 | TBK1 (0.63) | TBK1IKBKEAURKBCDK2PDPK1 | |
| SCHEMBL29666237 | 0.94 | TBK1 (0.63) | TBK1IKBKEAURKBCDK2PDPK1 | |
| SCHEMBL23331357 | 0.89 | TBK1 (0.58) | TBK1IKBKEAURKBCDK2PDPK1 | |
| SCHEMBL22818571 | 0.82 | TBK1 (0.51) | TBK1IKBKEAURKBCDK2PDPK1 | |
| SCHEMBL22882524 | 0.80 | TBK1 (0.65) | TBK1IKBKEAURKBCDK2PDPK1 | |
| SCHEMBL22818563 | 0.80 | TBK1 (0.49) | TBK1IKBKEAURKBCDK2PDPK1 | |
| SCHEMBL1284852 | 0.78 | TBK1 (0.61) | TBK1IKBKEAURKBCDK2PDPK1 | |
| SCHEMBL23330925 | 0.77 | STK17A (0.50) | TBK1IKBKEAURKBCDK2STK17A | |
| SCHEMBL21162388 | 0.77 | TBK1 (0.90) | TBK1IKBKEAURKBCDK2PDPK1 | |
| SCHEMBL3448808 | 0.76 | MEN1 (0.47) | STK17AMEN1KMT2ASTK17B |
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-2019201123-A1 | MULTIFUNCTIONAL COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN PHARMACEUTICALS | 四川科伦博泰生物医药股份有限公司 | 2019-10-24 | — | — | WO | disclosed |