Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | PDCD1 | Q15116 | 3/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 3/20 | 0.42 |
| ▸ | COMT | P21964 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28821934 | 1.00 | TRPA1 (0.48) | TRPA1ATMALDH1A1HPGDBCL2L1 | |
| SCHEMBL30046939 | 0.87 | TRPA1 (0.48) | TRPA1ATMALDH1A1HPGDBCL2L1 | |
| SCHEMBL17759046 | 0.86 | ALDH1A1 (0.48) | TRPA1ATMALDH1A1HPGDBCL2L1 | |
| SCHEMBL27989294 | 0.85 | ESR1 (0.46) | TRPA1ATMALDH1A1HPGDBCL2L1 | |
| SCHEMBL25470904 | 0.85 | BCL2L1 (0.58) | TRPA1ATMALDH1A1HPGDBCL2L1 | |
| SCHEMBL2860776 | 0.84 | ALDH1A1 (0.62) | TRPA1ATMALDH1A1HPGDBCL2L1 | |
| SCHEMBL29636457 | 0.84 | ALDH1A1 (0.62) | TRPA1ATMALDH1A1HPGDBCL2L1 | |
| SCHEMBL16055422 | 0.83 | TRPA1 (0.45) | TRPA1ATMALDH1A1HPGDBCL2L1 | |
| SCHEMBL1050873 | 0.83 | TRPA1 (0.48) | TRPA1ALDH1A1HPGDBCL2L1HSD17B10 | |
| SCHEMBL894974 | 0.82 | ALDH1A1 (0.65) | ALDH1A1HPGDBCL2L1HSD17B10CA12 |
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-117099786-A | Substituted 3, 4-dihydropyrimidin-2 (1H) -ones as seed treatment agents | 阿达玛马克西姆股份有限公司 | 2023-11-24 | — | — | CN | disclosed |