Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL28629514 | 0.75 | CA14 (0.31) | CA14 | |
| SCHEMBL2836502 | 0.71 | — | — | |
| SCHEMBL28296347 | 0.70 | CA1 (0.35) | CA1CA7 | |
| Sulfuric Acid SCHEMBL11537326 | 0.69 | CA14 (0.33) | CA14CA12CA1CA7HDAC1 | |
| SCHEMBL1706932 | 0.69 | HDAC6 (0.38) | CA14CA12CA1CA7HDAC1 | |
| SCHEMBL1771686 | 0.69 | HDAC6 (0.38) | CA14CA12CA1CA7HDAC1 | |
| Trifluoromethanesulfonic Acid SCHEMBL2352815 | 0.69 | CA14 (0.32) | CA14 | |
| SCHEMBL27633808 | 0.69 | CA14 (0.41) | CA14CA12CA1CA7HDAC1 | |
| SCHEMBL6049090 | 0.69 | CA1 (0.33) | CA1CA7 | |
| SCHEMBL1535717 | 0.68 | F2 (0.47) | CA14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109694339-A | A kind of novel trifluoromethylthio reagent and its application | 天津科技大学 | 2019-04-30 | — | — | CN | claimed |
| CN-109694339-A | A kind of novel trifluoromethylthio reagent and its application | 天津科技大学 | 2019-04-30 | — | — | CN | disclosed |
| CN-109694339-A | A kind of novel trifluoromethylthio reagent and its application | 天津科技大学 | 2019-04-30 | — | — | CN | disclosed |