Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12468637 | 0.83 | HPGD (0.63) | HPGDCYP2D6CYP3A4ALDH1A1LMNA | |
| SCHEMBL13849535 | 0.83 | HPGD (0.63) | HPGDCYP2D6CYP3A4ALDH1A1LMNA | |
| SCHEMBL2249346 | 0.83 | HPGD (0.63) | HPGDCYP2D6CYP3A4ALDH1A1LMNA | |
| Phenyl Ethanol SCHEMBL8145962 | 0.78 | TDP1 (0.64) | TDP1SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL8208706 | 0.77 | TRPA1 (0.50) | HPGDALDH1A1LMNAMAPK1TRPA1 | |
| Phenylethyl Alcohol SCHEMBL11422845 | 0.77 | TDP1 (0.76) | TDP1HPGDALDH1A1TRPA1CYP4F2 | |
| Phenylethyl Alcohol SCHEMBL28557546 | 0.75 | TDP1 (0.73) | TDP1HPGDALDH1A1TRPA1CYP4F2 | |
| Phenylethyl Alcohol SCHEMBL27505861 | 0.74 | TDP1 (0.89) | TDP1HPGDSLC6A3ALDH1A1MAPK1 | |
| Phenylethyl Alcohol SCHEMBL10904935 | 0.74 | TDP1 (0.89) | TDP1HPGDSLC6A3ALDH1A1MAPK1 | |
| Phenylethyl Alcohol SCHEMBL1867158 | 0.74 | TDP1 (1.00) | TDP1HPGDSLC6A3ALDH1A1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0989970-A1 | FRAGRANCE PRECURSOR COMPOUNDS | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 2000-04-05 | — | — | EP | disclosed |
| WO-1998058899-A1 | FRAGRANCE PRECURSOR COMPOUNDS | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1998-12-30 | — | — | WO | disclosed |