Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9680302 | 0.82 | — | — | |
| SCHEMBL2300235 | 0.82 | — | — | |
| SCHEMBL948623 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL282 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL3628777 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL20503401 | 0.82 | ALDH1A1 (0.46) | ALDH1A1THRBTSHR | |
| Tert-Butanol SCHEMBL788666 | 0.82 | ALDH1A1 (0.46) | ALDH1A1THRBTSHR | |
| SCHEMBL6775241 | 0.82 | — | — | |
| SCHEMBL22538 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL6152871 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108658908-B | 1,3- bis- replaces ketene compounds and its application | 广州必贝特医药技术有限公司 | 2019-05-10 | — | — | CN | disclosed |
| CN-108658908-A | 1,3- bis- substitution ketene compounds and its application | 广州必贝特医药技术有限公司 | 2018-10-16 | — | — | CN | disclosed |