Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 18/20 | 0.52 |
| ▸ | THRA | P10827 | 16/20 | 0.52 |
| ▸ | WDR5 | P61964 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.35 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.35 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL28651437 | 0.99 | THRB (0.51) | THRBTHRAWDR5CYP2C9UGT1A1 | |
| SCHEMBL28651241 | 0.86 | THRB (0.51) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL22632821 | 0.85 | THRB (0.52) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL28442792 | 0.82 | THRB (0.56) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL29417471 | 0.79 | THRB (0.52) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL24032580 | 0.77 | THRB (0.53) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL28646663 | 0.77 | THRB (0.45) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL22632702 | 0.77 | THRB (0.66) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL28632953 | 0.76 | THRB (0.33) | THRBTHRAWDR5 | |
| SCHEMBL21840326 | 0.76 | THRB (0.53) | THRBTHRACYP2C9UGT1A1ABCG2 |
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 |