Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.32 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24017013 | 1.00 | TSHR (0.41) | TSHRALDH1A1TRPA1ABCC4MAPT | |
| SCHEMBL731551 | 0.85 | TSHR (0.40) | TSHRALDH1A1 | |
| SCHEMBL11147087 | 0.85 | TSHR (0.35) | TSHRALDH1A1 | |
| SCHEMBL432274 | 0.82 | — | — | |
| SCHEMBL1242583 | 0.82 | TSHR (0.41) | TSHRALDH1A1TRPA1ABCC4MAPT | |
| SCHEMBL24017136 | 0.81 | TSHR (0.35) | TSHRALDH1A1 | |
| SCHEMBL24017041 | 0.81 | TSHR (0.35) | TSHRALDH1A1 | |
| SCHEMBL3241748 | 0.81 | TSHR (0.39) | TSHRALDH1A1TRPA1ABCC4MAPT | |
| SCHEMBL3241595 | 0.81 | TSHR (0.39) | TSHRALDH1A1TRPA1ABCC4MAPT | |
| SCHEMBL9349243 | 0.80 | — | — |
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-2021223156-A1 | DIBORON GLYCOL ESTER, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF, AND APPLICATION THEREOF | 中国科学院上海有机化学研究所 | 2021-11-11 | — | — | WO | disclosed |