Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 7/20 | 0.68 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Cis-3-Hexenol SCHEMBL6335235 | 1.00 | TRPA1 (0.68) | TRPA1TAAR1AOC3ALDH1A1CYP3A4 | |
| SCHEMBL295543 | 0.82 | TRPA1 (1.00) | TRPA1TAAR1AOC3ALDH1A1RIPK1 | |
| Acetic Acid SCHEMBL10395902 | 0.76 | TRPA1 (0.85) | TRPA1TAAR1AOC3CYP3A4CYP2C19 | |
| Cis-3-Hexenol SCHEMBL28144390 | 0.73 | ALDH1A1 (0.48) | ALDH1A1CYP3A4ALOX15LMNA | |
| SCHEMBL16702621 | 0.72 | TRPA1 (1.00) | TRPA1TAAR1AOC3ALDH1A1RIPK1 | |
| Phthalic Acid SCHEMBL10807323 | 0.72 | TRPA1 (0.77) | TRPA1TAAR1ALDH1A1ALOX15RIPK1 | |
| SCHEMBL8207850 | 0.71 | TRPA1 (0.69) | TRPA1ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL5853428 | 0.70 | RIPK1 (0.44) | TRPA1TAAR1AOC3ALDH1A1CYP3A4 | |
| SCHEMBL5853431 | 0.70 | RIPK1 (0.44) | TRPA1TAAR1AOC3ALDH1A1CYP3A4 | |
| SCHEMBL10644871 | 0.70 | TAAR1 (0.48) | TRPA1TAAR1AOC3RIPK1LMNA |
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-6861402-B1 | Pro-fragrances | THE PROCTER & GAMBLE COMPANY (US) | 2005-03-01 | — | — | US | claimed |