Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 13/20 | 0.35 |
| ▸ | JAK2 | O60674 | 9/20 | 0.35 |
| ▸ | JAK3 | P52333 | 6/20 | 0.35 |
| ▸ | TYK2 | P29597 | 4/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.32 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.32 |
| ▸ | TSPO | P30536 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | CCND2 | P30279 | 1/20 | 0.32 |
| ▸ | CCND3 | P30281 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28580864 | 0.87 | JAK1 (0.36) | JAK1JAK2JAK3TYK2CDK4 | |
| SCHEMBL21724877 | 0.78 | JAK1 (0.50) | JAK1JAK2JAK3TYK2 | |
| SCHEMBL20741497 | 0.72 | NLRP3 (0.43) | TSPOEGLN1 | |
| SCHEMBL30842206 | 0.72 | NLRP3 (0.43) | TSPOEGLN1 | |
| SCHEMBL21724518 | 0.70 | JAK1 (0.53) | JAK1JAK2JAK3TYK2 | |
| SCHEMBL205088 | 0.69 | BACE1 (0.34) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL26863050 | 0.68 | NLRP3 (0.42) | — | |
| SCHEMBL30074854 | 0.68 | HPGDS (0.43) | JAK1JAK2 | |
| SCHEMBL29036539 | 0.68 | HPGDS (0.43) | JAK1JAK2 | |
| SCHEMBL26713454 | 0.68 | HPGDS (0.43) | JAK1JAK2 |
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-112996567-A | Imidazo [4,5-C ] quinoline-derived NLRP 3-modulators | 先天肿瘤免疫公司 | 2021-06-18 | — | — | CN | disclosed |