Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 19/20 | 0.58 |
| ▸ | THRB | P10828 | 19/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.47 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.32 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.32 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29134025 | 0.91 | THRA (0.57) | THRATHRBCYP2C9CYP2C8TRPA1 | |
| SCHEMBL29134007 | 0.88 | THRA (0.56) | THRATHRBCYP2C9CYP2C8TRPA1 | |
| SCHEMBL29134033 | 0.87 | THRA (0.60) | THRATHRBCYP2C9CYP2C8UGT1A1 | |
| SCHEMBL29134009 | 0.84 | THRA (0.57) | THRATHRBCYP2C9CYP2C8UGT1A1 | |
| SCHEMBL29134027 | 0.84 | THRA (0.51) | THRATHRBCYP2C9CYP2C8TRPA1 | |
| SCHEMBL29134024 | 0.83 | THRA (0.55) | THRATHRBCYP2C9CYP2C8 | |
| SCHEMBL29134008 | 0.81 | THRA (0.54) | THRATHRBCYP2C9CYP2C8 | |
| SCHEMBL29134022 | 0.81 | THRA (0.53) | THRATHRBCYP2C9CYP2C8 | |
| SCHEMBL29134029 | 0.80 | THRA (0.52) | THRATHRBCYP2C9CYP2C8TRPA1 | |
| SCHEMBL29134021 | 0.79 | THRA (0.52) | THRATHRBCYP2C9CYP2C8 |
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-116836158-A | Compound serving as thyroid hormone beta receptor agonist and application thereof | 凯思凯迪（上海）医药科技有限公司 | 2023-10-03 | — | — | CN | disclosed |