Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 17/20 | 0.51 |
| ▸ | THRA | P10827 | 13/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 2/20 | 0.33 |
| ▸ | JAK1 | P23458 | 2/20 | 0.33 |
| ▸ | TYK2 | P29597 | 2/20 | 0.33 |
| ▸ | JAK3 | P52333 | 2/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22632821 | 0.96 | THRB (0.52) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL28442792 | 0.94 | THRB (0.56) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL28651437 | 0.88 | THRB (0.51) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL28651291 | 0.86 | THRB (0.52) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL23260089 | 0.83 | THRB (0.47) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL22632404 | 0.81 | THRB (0.65) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL23758062 | 0.81 | THRB (0.65) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL29417471 | 0.81 | THRB (0.52) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL22632702 | 0.80 | THRB (0.66) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL29986198 | 0.79 | THRB (0.46) | THRBTHRA |
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-113278013-B | 2, 6-disubstituted 1,2, 4-triazine-3, 5-diketone compound and preparation method and application thereof | 昆药集团股份有限公司 | 2022-09-23 | — | — | CN | disclosed |
| CN-113278013-A | 2, 6-disubstituted 1,2, 4-triazine-3, 5-diketone compound and preparation method and application thereof | 昆药集团股份有限公司 | 2021-08-20 | — | — | CN | disclosed |