Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 8/20 | 0.38 |
| ▸ | CLK1 | P49759 | 1/20 | 0.38 |
| ▸ | WNT1 | P04628 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 5/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30007830 | 0.88 | DYRK1A (0.45) | ATRDYRK1AWNT1NAMPTGSK3B | |
| SCHEMBL30008206 | 0.85 | CLK1 (0.43) | ATRDYRK1ACLK1NAMPTGSK3B | |
| SCHEMBL30007739 | 0.82 | NAMPT (0.43) | ATRNAMPT | |
| SCHEMBL30007902 | 0.77 | GSK3A (0.46) | ATRDYRK1AGSK3B | |
| SCHEMBL30007683 | 0.75 | CYP2C9 (0.48) | DYRK1ACLK1NAMPTGSK3B | |
| SCHEMBL30007677 | 0.71 | AXL (0.50) | NAMPT | |
| SCHEMBL29253947 | 0.69 | GSK3A (0.48) | ATRDYRK1AGSK3B | |
| SCHEMBL30912733 | 0.69 | GSK3B (0.46) | DYRK1AGSK3B | |
| SCHEMBL30912725 | 0.69 | GSK3B (0.46) | DYRK1AGSK3B | |
| SCHEMBL29253944 | 0.69 | GSK3B (0.46) | DYRK1AGSK3B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022237922-A1 | ANTITUMOR COMPOUNDS BASED ON NITROGEN HETEROCYCLES AND USE THEREOF AS MEDICAMENTS | FAKULTNI NEMOCNICE HRADEC KRALOVE (CZ) | 2022-11-17 | — | — | WO | claimed |
| WO-2022237922-A1 | ANTITUMOR COMPOUNDS BASED ON NITROGEN HETEROCYCLES AND USE THEREOF AS MEDICAMENTS | FAKULTNI NEMOCNICE HRADEC KRALOVE (CZ) | 2022-11-17 | — | — | WO | disclosed |