Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TXNRD1 | Q16881 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22687312 | 0.72 | P2RX7 (0.31) | — | |
| SCHEMBL12506158 | 0.70 | LPL (0.36) | CA1CA2CA9 | |
| SCHEMBL140519 | 0.69 | LPL (0.32) | CA1CA2CA9 | |
| SCHEMBL30896150 | 0.67 | FFAR1 (0.33) | — | |
| SCHEMBL22861265 | 0.67 | LPL (0.37) | — | |
| SCHEMBL24617151 | 0.67 | CA1 (0.33) | CA1CA2CA9 | |
| SCHEMBL24616853 | 0.67 | LPL (0.31) | — | |
| SCHEMBL1159688 | 0.67 | LIPE (0.32) | — | |
| SCHEMBL20456084 | 0.67 | LPL (0.31) | — | |
| SCHEMBL19638707 | 0.67 | MAPK1 (0.31) | — |
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-113330001-A | 3, 3-difluoroallylamine or salt thereof and pharmaceutical composition containing same | 柳韩洋行 | 2021-08-31 | — | — | CN | disclosed |