Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 17/20 | 0.40 |
| ▸ | THRB | P10828 | 17/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL28638133 | 0.84 | HRH4 (0.34) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL29987059 | 0.75 | THRA (0.35) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL29986996 | 0.73 | THRB (0.36) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL12603864 | 0.71 | SCD (0.52) | HRH3 | |
| SCHEMBL13536307 | 0.70 | SCD (0.60) | — | |
| SCHEMBL12603863 | 0.69 | SCD (0.48) | — | |
| SCHEMBL21939780 | 0.69 | THRA (0.53) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL12603866 | 0.69 | MEN1 (0.48) | CYP2C9 | |
| SCHEMBL29986352 | 0.69 | THRA (0.33) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL21840350 | 0.66 | THRA (0.62) | THRATHRBCYP2C9UGT1A1ABCG2 |
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 |