Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYK2 | P29597 | 20/20 | 1.00 |
| ▸ | JAK1 | P23458 | 19/20 | 1.00 |
| ▸ | JAK2 | O60674 | 15/20 | 0.81 |
| ▸ | JAK3 | P52333 | 13/20 | 0.81 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL28928773 | 0.92 | TYK2 (1.00) | TYK2JAK1JAK2JAK3CYP1A2 | |
| SCHEMBL28659639 | 0.90 | JAK1 (1.00) | TYK2JAK1JAK2JAK3CYP1A2 | |
| SCHEMBL28664007 | 0.89 | JAK1 (1.00) | TYK2JAK1JAK2JAK3CYP1A2 | |
| SCHEMBL28674907 | 0.88 | JAK1 (1.00) | TYK2JAK1JAK2JAK3 | |
| SCHEMBL28649270 | 0.88 | JAK1 (0.78) | TYK2JAK1JAK2JAK3 | |
| SCHEMBL28928777 | 0.87 | JAK1 (0.84) | TYK2JAK1JAK2JAK3 | |
| SCHEMBL28653810 | 0.87 | TYK2 (1.00) | TYK2JAK1JAK2JAK3CYP1A2 | |
| SCHEMBL28650584 | 0.86 | JAK1 (1.00) | TYK2JAK1JAK2JAK3 | |
| SCHEMBL28666721 | 0.86 | TYK2 (0.83) | TYK2JAK1JAK2JAK3 | |
| SCHEMBL28664771 | 0.86 | JAK1 (1.00) | TYK2JAK1JAK2JAK3 |
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-113461687-B | 2, 8-aza- [4,5] decaspirocyclic ketone derivative and preparation method and application thereof | 四川大学华西医院 | 2022-04-19 | — | — | CN | disclosed |
| CN-113461687-A | 2, 8-aza- [4,5] decaspirocyclic ketone derivative and preparation method and application thereof | 四川大学华西医院 | 2021-10-01 | — | — | CN | disclosed |