Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 9/20 | 0.57 |
| ▸ | MIF | P14174 | 5/20 | 0.45 |
| ▸ | NAAA | Q02083 | 3/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | BACH1 | O14867 | 1/20 | 0.40 |
| ▸ | MAFK | O60675 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11135357 | 0.76 | EPHX1 (0.38) | ALDH1A1LMNA | |
| SCHEMBL364007 | 0.74 | MIF (0.50) | TRPA1MIFNAAAKEAP1NFE2L2 | |
| SCHEMBL10607108 | 0.73 | EPHX1 (0.41) | TRPA1 | |
| Erucin SCHEMBL435774 | 0.73 | — | — | |
| SCHEMBL28836397 | 0.72 | TRPA1 (0.67) | TRPA1MIFNAAAKEAP1NFE2L2 | |
| SCHEMBL25332310 | 0.71 | TRPA1 (1.00) | TRPA1MIFNAAAKEAP1NFE2L2 | |
| SCHEMBL3123984 | 0.71 | TRPA1 (1.00) | TRPA1MIFNAAAKEAP1NFE2L2 | |
| SCHEMBL5352877 | 0.71 | TRPA1 (1.00) | TRPA1MIFNAAAKEAP1NFE2L2 | |
| SCHEMBL2679812 | 0.71 | TRPA1 (1.00) | TRPA1MIFNAAAKEAP1NFE2L2 | |
| SCHEMBL1020887 | 0.71 | TRPA1 (1.00) | TRPA1MIFNAAAKEAP1NFE2L2 |
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-116891424-A | Isothiocyanate derivative, preparation method and application thereof | 青岛真兴医药技术有限公司 | 2023-10-17 | — | — | CN | disclosed |