Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL28373 | 0.97 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1TSHRTP53TDP1 | |
| SCHEMBL28196569 | 0.94 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1TSHRTDP1THRB | |
| Fluoride SCHEMBL11077600 | 0.94 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1TSHRTDP1THRB | |
| SCHEMBL28196571 | 0.94 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1TSHRTDP1THRB | |
| SCHEMBL26694771 | 0.94 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1TSHRTDP1THRB | |
| SCHEMBL28197244 | 0.94 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1TSHRTDP1THRB | |
| SCHEMBL2351582 | 0.94 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1TSHRTDP1THRB | |
| SCHEMBL29140614 | 0.89 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1TSHR | |
| SCHEMBL409133 | 0.87 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1 | |
| Acetonitrile SCHEMBL27731948 | 0.83 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1 |
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-107573267-A | Alkyl sulfonyl fluorine compounds, its preparation method and application containing trifluoromethyl | 中国科学院上海有机化学研究所 | 2018-01-12 | — | — | CN | claimed |
| CN-107573267-A | Alkyl sulfonyl fluorine compounds, its preparation method and application containing trifluoromethyl | 中国科学院上海有机化学研究所 | 2018-01-12 | — | — | CN | disclosed |