Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL6573700 | 0.82 | ALDH1A1 (0.42) | ALDH1A1TSHRTHRBCA1CA2 | |
| SCHEMBL27963682 | 0.78 | CA1 (0.40) | CA1CA2 | |
| SCHEMBL27386265 | 0.78 | MEN1 (0.44) | ALDH1A1TSHRTHRB | |
| SCHEMBL27957606 | 0.73 | CA1 (0.53) | ALDH1A1TSHRCA1CA2 | |
| SCHEMBL15379692 | 0.73 | CA1 (0.53) | ALDH1A1TSHRCA1CA2 | |
| SCHEMBL17466347 | 0.72 | ALDH1A1 (0.35) | ALDH1A1TSHRTHRBCA1CA2 | |
| SCHEMBL17466401 | 0.72 | ALDH1A1 (0.35) | ALDH1A1TSHRTHRBCA1CA2 | |
| SCHEMBL27427596 | 0.72 | — | — | |
| SCHEMBL27719430 | 0.71 | — | — | |
| SCHEMBL992170 | 0.70 | TSHR (0.55) | ALDH1A1TSHRTHRBCA1CA2 |
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-109694367-B | Method for preparing bilastine | 湖北省医药工业研究院有限公司 | 2021-06-11 | — | — | CN | disclosed |