Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 15/20 | 0.35 |
| ▸ | THRA | P10827 | 14/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.30 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29497485 | 0.91 | — | — | |
| SCHEMBL30820597 | 0.90 | THRB (0.39) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL13116309 | 0.90 | THRB (0.39) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL24565185 | 0.88 | THRA (0.31) | THRBTHRA | |
| SCHEMBL22632552 | 0.85 | THRB (0.40) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL30045685 | 0.85 | THRA (0.31) | THRBTHRA | |
| SCHEMBL38660363 | 0.85 | THRB (0.40) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL24032733 | 0.84 | THRB (0.34) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL21749438 | 0.82 | THRA (0.38) | THRBTHRACYP2C9UGT1A1ABCG2 | |
| SCHEMBL23828939 | 0.81 | MAPT (0.34) | THRBTHRACYP2C9UGT1A1ABCG2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021032161-A1 | HALOGEN-SUBSTITUTED PHENYLATE COMPOUND AND APPLICATIONS THEREOF | 成都海创药业有限公司 | 2021-02-25 | — | — | WO | disclosed |