Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 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 | |
|---|---|---|---|---|
| SCHEMBL6049090 | 0.78 | CA1 (0.33) | CA1CA2CA7CA13F2 | |
| SCHEMBL28296147 | 0.70 | CA14 (0.37) | CA1CA7 | |
| SCHEMBL3977905 | 0.69 | CA1 (0.44) | CA1CA2CA7CA13ALDH1A1 | |
| SCHEMBL27433469 | 0.67 | — | — | |
| SCHEMBL29194219 | 0.65 | ALDH1A1 (0.30) | ALDH1A1L3MBTL1 | |
| SCHEMBL24465429 | 0.65 | CA1 (0.40) | CA1CA2CA7CA13 | |
| SCHEMBL27671263 | 0.65 | CA1 (0.32) | CA1CA2CA7 | |
| SCHEMBL13791220 | 0.65 | CA1 (0.40) | CA1CA2CA7CA13 | |
| Hydrochloric Acid SCHEMBL27380209 | 0.65 | CA1 (0.32) | CA1CA2CA7 | |
| SCHEMBL17882011 | 0.64 | CA1 (0.37) | CA1CA2CA7CA13F2 |
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-109694339-A | A kind of novel trifluoromethylthio reagent and its application | 天津科技大学 | 2019-04-30 | — | — | CN | disclosed |