Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | BACH1 | O14867 | 1/20 | 0.37 |
| ▸ | MAFK | O60675 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 5/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | IAPP | P10997 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3119816 | 0.90 | NAAA (0.61) | NAAAMAPTKMT2AKEAP1NFE2L2 | |
| SCHEMBL3115794 | 0.84 | NAAA (0.52) | NAAAMAPTKMT2AKEAP1NFE2L2 | |
| SCHEMBL3128515 | 0.82 | NAAA (0.55) | NAAAMAPTKMT2AKEAP1NFE2L2 | |
| SCHEMBL978201 | 0.82 | NAAA (0.43) | NAAAMAPTKMT2AKEAP1NFE2L2 | |
| SCHEMBL11077005 | 0.80 | MAPT (0.41) | MAPTKMT2ACES1CES2ALDH1A1 | |
| SCHEMBL25333089 | 0.79 | TRPA1 (0.60) | NAAAKEAP1NFE2L2MIFALDH1A1 | |
| SCHEMBL25330837 | 0.77 | TRPA1 (0.62) | NAAAMAPTKMT2AKEAP1NFE2L2 | |
| SCHEMBL21777580 | 0.76 | NAAA (0.47) | NAAAMAPTKMT2ACES1CES2 | |
| SCHEMBL3120743 | 0.76 | NAAA (0.52) | NAAAKEAP1NFE2L2MIFALDH1A1 | |
| SCHEMBL31412575 | 0.75 | KEAP1 (0.34) | NAAAKEAP1NFE2L2MIFALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023133494-A2 | OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS | BRASSICA PROTECTION PRODUCTS LLC (US) | 2023-07-13 | — | — | WO | disclosed |