Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL11208718 | 0.78 | NAAA (0.41) | TRPA1ALDH1A1CYP2C19 | |
| SCHEMBL13627823 | 0.72 | — | — | |
| SCHEMBL4444589 | 0.72 | — | — | |
| SCHEMBL4444592 | 0.72 | — | — | |
| SCHEMBL8442017 | 0.70 | TRPA1 (0.63) | TRPA1ALDH1A1CYP2C19L3MBTL1 | |
| Ethyl Bromo Acetate SCHEMBL1332675 | 0.69 | — | — | |
| Ethyl Bromo Acetate SCHEMBL1332025 | 0.69 | — | — | |
| Ethyl Bromo Acetate SCHEMBL1332372 | 0.69 | — | — | |
| Ethyl Bromo Acetate SCHEMBL5658 | 0.69 | — | — | |
| SCHEMBL16904009 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4526608-A | Weed control | ZOECON CORPORATION (US) | 1985-07-02 | — | — | US | disclosed |