Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MARK3 | P27448 | 2/20 | 0.48 |
| ▸ | AURKA | O14965 | 2/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.33 |
| ▸ | ELANE | P08246 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | CTSG | P08311 | 1/20 | 0.31 |
| ▸ | CTRC | Q99895 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | SRC | P12931 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | FLT3 | P36888 | 1/20 | 0.30 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | BACE1 | P56817 | 1/20 | 0.30 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25898322 | 0.79 | MARK3 (0.50) | MARK3AURKAAURKBELANEALDH1A1 | |
| SCHEMBL25899947 | 0.79 | MARK3 (0.50) | MARK3AURKAAURKBELANEPGR | |
| SCHEMBL25888905 | 0.77 | MARK3 (0.48) | MARK3AURKAAURKBELANEPGR | |
| SCHEMBL22693085 | 0.72 | ALDH1A1 (0.37) | ELANEALDH1A1KMT2AF2CTSG | |
| SCHEMBL22402392 | 0.71 | ATAD2 (0.41) | ELANEF2CTSGCTRC | |
| SCHEMBL17275707 | 0.65 | ALDH1A1 (0.47) | MARK3AURKAAURKBALDH1A1PKM | |
| SCHEMBL9202873 | 0.63 | GPR55 (0.56) | MARK3ELANEALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL5543415 | 0.63 | CYP2C9 (0.49) | AURKAAURKBALDH1A1PKMKMT2A | |
| SCHEMBL4507178 | 0.62 | CYP1A2 (0.46) | AURKAAURKBALDH1A1KMT2A | |
| SCHEMBL4501318 | 0.62 | ATAD2 (0.44) | MARK3AURKAAURKBELANEALDH1A1 |
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-2023138362-A1 | WEE1 INHIBITOR, PREPARATION THEREFOR, AND USE THEREOF | 江苏天士力帝益药业有限公司 | 2023-07-27 | — | — | WO | disclosed |