Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | MIF | P14174 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Allyl Isothiocyanate SCHEMBL41581 | 0.70 | — | — | |
| Allyl Isothiocyanate SCHEMBL900655 | 0.70 | TRPA1 (1.00) | TRPA1CYP3A4MIFTSHR | |
| SCHEMBL1074725 | 0.70 | — | — | |
| SCHEMBL2940370 | 0.70 | — | — | |
| SCHEMBL1074724 | 0.70 | — | — | |
| SCHEMBL949934 | 0.69 | — | — | |
| Allyl Isothiocyanate SCHEMBL29036465 | 0.68 | — | — | |
| Allyl Isothiocyanate SCHEMBL30306280 | 0.68 | — | — | |
| Allyl Isothiocyanate SCHEMBL9446554 | 0.68 | — | — | |
| Allyl Isothiocyanate SCHEMBL9446558 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-5339229-A | — | — | None | — | — | JP | disclosed |
| JP-H05339229-A | PRODUCTION OF @(3754/24)ALKYLTHIO)ALKYL ISOTHIOCYANATE | OGAWA KORYO KK | 1993-12-21 | — | — | JP | disclosed |