Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 2/20 | 0.52 |
| ▸ | CNR2 | P34972 | 5/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | TLR8 | Q9NR97 | 4/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.47 |
| ▸ | ICMT | O60725 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28215934 | 0.82 | DYRK1A (0.55) | DYRK1AGSK3BMKNK1MKNK2 | |
| SCHEMBL28507558 | 0.81 | DYRK1A (0.75) | DYRK1ACNR2GSK3BCA12CA1 | |
| SCHEMBL29870510 | 0.79 | CDC7 (0.60) | DYRK1AGSK3BMKNK1MKNK2 | |
| SCHEMBL5750318 | 0.79 | CDC7 (0.60) | DYRK1AGSK3BMKNK1MKNK2 | |
| Hydrochloric Acid SCHEMBL5749287 | 0.78 | CDC7 (0.59) | DYRK1AGSK3BMKNK1MKNK2 | |
| SCHEMBL19532488 | 0.77 | MKNK2 (0.54) | DYRK1ACNR2GSK3BCA12CA1 | |
| SCHEMBL15625751 | 0.74 | CA12 (0.53) | CNR2GSK3BCA12CA1CA2 | |
| SCHEMBL22585743 | 0.72 | EGFR (0.49) | GSK3BMKNK1MKNK2 | |
| SCHEMBL31278246 | 0.72 | EGFR (0.49) | GSK3BMKNK1MKNK2 | |
| SCHEMBL17542604 | 0.71 | MKNK2 (0.53) | DYRK1AGSK3BCA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108218838-B | Pyrimidine radicals indole derivatives and preparation method thereof and application in preparation of anti-tumor drugs | 青岛海洋生物医药研究院股份有限公司 | 2019-07-23 | — | — | CN | disclosed |
| CN-108218838-A | Pyrimidine radicals indole derivatives and preparation method thereof and application in preparation of anti-tumor drugs | 青岛海洋生物医药研究院股份有限公司 | 2018-06-29 | — | — | CN | disclosed |