Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 8/20 | 0.67 |
| ▸ | MIF | P14174 | 5/20 | 0.52 |
| ▸ | NAAA | Q02083 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | BACH1 | O14867 | 1/20 | 0.45 |
| ▸ | MAFK | O60675 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL331092 | 0.97 | TRPA1 (0.68) | TRPA1MIFNAAAALDH1A1LMNA | |
| SCHEMBL330807 | 0.92 | TRPA1 (0.65) | TRPA1MIFNAAAALDH1A1LMNA | |
| SCHEMBL15528167 | 0.84 | TRPA1 (0.64) | TRPA1MIFNAAAALDH1A1LMNA | |
| SCHEMBL484045 | 0.83 | MIF (0.68) | TRPA1MIFNAAAALDH1A1LMNA | |
| SCHEMBL11859234 | 0.83 | NAAA (0.69) | TRPA1MIFNAAAALDH1A1LMNA | |
| SCHEMBL11727275 | 0.83 | NAAA (0.69) | TRPA1MIFNAAAALDH1A1LMNA | |
| SCHEMBL7523727 | 0.81 | TRPA1 (0.54) | TRPA1MIFNAAAALDH1A1LMNA | |
| SCHEMBL330896 | 0.80 | TRPA1 (0.50) | TRPA1MIFNAAAALDH1A1LMNA | |
| Erucin SCHEMBL435774 | 0.80 | — | — | |
| SCHEMBL1999782 | 0.80 | NAAA (0.74) | TRPA1MIFNAAAALDH1A1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106146429-A | The structure of isosulfocyanate precursor compound, prepare and apply | 天津国际生物医药联合研究院 | 2016-11-23 | — | — | CN | claimed |
| 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 |
| CN-103159691-B | Preparing method and application of isothiocyanate compound | 天津市国际生物医药联合研究院 | 2017-05-03 | — | — | CN | disclosed |
| CN-106146429-A | The structure of isosulfocyanate precursor compound, prepare and apply | 天津国际生物医药联合研究院 | 2016-11-23 | — | — | CN | disclosed |