Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL15598284 | 0.85 | TSHR (0.53) | TSHRALDH1A1TRPA1 | |
| SCHEMBL464573 | 0.85 | TSHR (0.53) | TSHRALDH1A1TRPA1 | |
| SCHEMBL108664 | 0.78 | TSHR (0.53) | TSHRALDH1A1TRPA1 | |
| SCHEMBL6113280 | 0.76 | — | — | |
| SCHEMBL15598372 | 0.74 | TSHR (0.42) | TSHRALDH1A1TRPA1 | |
| SCHEMBL5907162 | 0.74 | TSHR (0.42) | TSHRALDH1A1TRPA1 | |
| SCHEMBL7990189 | 0.74 | — | — | |
| SCHEMBL16118370 | 0.73 | — | — | |
| SCHEMBL110244 | 0.73 | — | — | |
| SCHEMBL13222662 | 0.73 | — | — |
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-2021031246-A1 | METHOD FOR PREPARING CHIRAL β-HYDROXYLCARBOXYLATE COMPOUND | 上海欣海国际贸易有限公司 | 2021-02-25 | — | — | WO | disclosed |