Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28025315 | 0.82 | TDP1 (0.38) | CD44TDP1 | |
| Tert-Butyl Formate SCHEMBL27773262 | 0.81 | TDP1 (0.50) | CD44TDP1 | |
| SCHEMBL29805405 | 0.80 | CD44 (0.68) | CD44TDP1 | |
| SCHEMBL329619 | 0.80 | CD44 (0.68) | CD44TDP1 | |
| Tert-Butyl Formate SCHEMBL27838771 | 0.73 | TDP1 (0.38) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27811317 | 0.73 | TDP1 (0.41) | TDP1 | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL16291277 | 0.71 | PNMT (0.61) | CD44TDP1 | |
| Tert-Butyl Formate SCHEMBL22720790 | 0.69 | TDP1 (0.59) | TDP1 | |
| SCHEMBL16559767 | 0.69 | CA2 (0.40) | CD44TDP1 | |
| Tert-Butyl Formate SCHEMBL28092409 | 0.68 | TDP1 (0.56) | TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689645-A | Cyanoindole quinoline derivant as NIK inhibitor | 杨森制药有限公司 | 2019-04-26 | — | — | CN | disclosed |