Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 12/20 | 0.41 |
| ▸ | THRB | P10828 | 12/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29986346 | 0.99 | THRA (0.41) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL29986649 | 0.86 | THRB (0.43) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL29986995 | 0.85 | THRB (0.42) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL29987337 | 0.81 | THRA (0.58) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL28637080 | 0.76 | THRB (0.43) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL28637739 | 0.75 | THRB (0.43) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL28651291 | 0.74 | THRB (0.52) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL23441640 | 0.74 | THRB (0.55) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL23420401 | 0.73 | THRB (0.54) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL28651241 | 0.73 | THRB (0.51) | 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 1 patent. 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 |