Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 19/20 | 0.77 |
| ▸ | THRB | P10828 | 19/20 | 0.77 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.77 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.77 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.77 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.77 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| SCHEMBL24032592 | 0.93 | THRA (0.81) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL23441631 | 0.88 | THRA (0.80) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL23420796 | 0.87 | THRA (0.78) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL13907340 | 0.87 | THRB (1.00) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL23441643 | 0.86 | THRA (0.82) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL22743673 | 0.86 | THRA (0.74) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL15616359 | 0.86 | THRA (0.74) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL22743700 | 0.86 | THRA (0.77) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL22632837 | 0.85 | THRA (0.75) | THRATHRBCYP2C9UGT1A1ABCG2 | |
| SCHEMBL24032559 | 0.85 | THRA (0.84) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2021104288-A1 | 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 昆药集团股份有限公司 | 2021-06-03 | — | — | WO | disclosed |
| WO-2020239076-A1 | PYRIDAZINONE DERIVATIVES AS THYROXINE RECEPTOR-Β AGONISTS AND APPLICATION THEREOF | 南京明德新药研发有限公司 | 2020-12-03 | — | — | WO | disclosed |