Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 3/20 | 0.38 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | USP1 | O94782 | 1/20 | 0.36 |
| ▸ | WDR48 | Q8TAF3 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 2/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23148953 | 1.00 | CNR2 (0.40) | CNR2PTPN1KIF11TRPA1ALDH1A1 | |
| SCHEMBL2324650 | 0.84 | KIF11 (0.51) | CNR2PTPN1KIF11TSHRSLC13A5 | |
| SCHEMBL5726820 | 0.79 | SLC13A5 (0.49) | CNR2TRPA1ALDH1A1TSHRSLC13A5 | |
| SCHEMBL1373277 | 0.77 | ALDH1A1 (0.48) | PTPN1TRPA1ALDH1A1TSHRBACE1 | |
| SCHEMBL5050345 | 0.76 | PSEN1 (0.47) | ALDH1A1TACR1SLC13A5PSEN1PSEN2 | |
| SCHEMBL4663038 | 0.75 | MAOB (0.41) | — | |
| SCHEMBL1775215 | 0.75 | RXRA (0.44) | KIF11TRPA1ALDH1A1TSHRRXRA | |
| SCHEMBL2300881 | 0.74 | KIF11 (0.54) | KIF11ALDH1A1TSHRTACR1BACE1 | |
| SCHEMBL3764165 | 0.74 | ALDH1A1 (0.44) | PTPN1TRPA1ALDH1A1TSHRTACR1 | |
| SCHEMBL15075513 | 0.74 | ALDH1A1 (0.50) | PTPN1TRPA1ALDH1A1TSHRBACE1 |
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-114401968-A | Novel heterocyclic monoacylglycerol lipase (MAGL) inhibitors | 豪夫迈·罗氏有限公司 | 2022-04-26 | — | — | CN | disclosed |