Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 19/20 | 0.59 |
| ▸ | THRB | P10828 | 19/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.53 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.53 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29987066 | 0.87 | THRA (0.62) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL29987337 | 0.86 | THRA (0.58) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL31524000 | 0.83 | THRA (0.68) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL29986850 | 0.83 | THRA (0.55) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL28865171 | 0.76 | THRA (0.66) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL2924045 | 0.74 | THRA (1.00) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL16919814 | 0.74 | THRA (0.68) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL22632795 | 0.74 | THRB (0.59) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL21749523 | 0.73 | THRA (0.67) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL21749414 | 0.73 | THRA (0.67) | 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 |