Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7974281 | 0.80 | MEN1 (0.32) | ALOX15 | |
| SCHEMBL11788032 | 0.79 | ALOX15 (0.40) | ALDH1A1ALOX15TRPA1 | |
| SCHEMBL11059751 | 0.77 | ALDH1A1 (0.55) | ALDH1A1ALOX15TRPA1 | |
| SCHEMBL6135567 | 0.77 | ALDH1A1 (0.35) | ALDH1A1ALOX15 | |
| SCHEMBL28762 | 0.74 | — | — | |
| SCHEMBL20191265 | 0.73 | ALDH1A1 (0.43) | ALDH1A1ALOX15TRPA1 | |
| SCHEMBL9516628 | 0.72 | ALDH1A1 (0.35) | ALDH1A1ALOX15 | |
| SCHEMBL28459967 | 0.71 | ALDH1A1 (0.41) | ALDH1A1ALOX15TRPA1 | |
| SCHEMBL15477168 | 0.71 | ALDH1A1 (0.41) | ALDH1A1ALOX15TRPA1 | |
| Ethylene Glycol SCHEMBL5930511 | 0.71 | ALDH1A1 (0.55) | ALDH1A1ALOX15TRPA1 |
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-2001017983-A2 | METHOD FOR PRODUCING ROSE OXIDE USING HALOHYDRINS OR EPOXIDES | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2001-03-15 | — | — | WO | disclosed |