Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 6/20 | 0.37 |
| ▸ | CA2 | P00918 | 6/20 | 0.37 |
| ▸ | CA9 | Q16790 | 5/20 | 0.37 |
| ▸ | CA7 | P43166 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.34 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.34 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MPI | P34949 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL184407 | 0.79 | TRPA1 (0.52) | TRPA1ATMALDH1A1CA1CA2 | |
| SCHEMBL30309279 | 0.79 | TRPA1 (0.52) | TRPA1ATMALDH1A1CA1CA2 | |
| SCHEMBL29558466 | 0.77 | TRPA1 (0.50) | TRPA1ATMALDH1A1CA1CA2 | |
| Water SCHEMBL27928522 | 0.77 | TRPA1 (0.50) | TRPA1ATMALDH1A1CA1CA2 | |
| SCHEMBL28827495 | 0.77 | PPARG (0.40) | TRPA1ATMALDH1A1KDM4EMAPT | |
| SCHEMBL9197954 | 0.75 | TRPA1 (0.48) | TRPA1ATMALDH1A1CA1CA2 | |
| SCHEMBL9908787 | 0.74 | ALDH1A1 (0.48) | TRPA1ATMALDH1A1CA1CA2 | |
| SCHEMBL7937960 | 0.73 | LMNA (0.53) | ATMALDH1A1CA1CA2CA9 | |
| SCHEMBL24804430 | 0.72 | ALDH1A1 (0.39) | TRPA1ATMALDH1A1CA1CA2 | |
| SCHEMBL6656127 | 0.72 | TRPA1 (0.50) | TRPA1ATMALDH1A1CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4428868-A | 5-Methyl-2-(2'-oxo-3'-butyl)phenol and perfume compositions comprising same | TAKASAGO PERFUMERY CO., LTD. (JP) | 1984-01-31 | — | — | US | disclosed |
| EP-0058906-B1 | 5-METHYL-2-(2'-OXO-3'-BUTYL) PHENOL AND PERFUME COMPOSITIONS COMPRISING SAME | Takasago Perfumery Co., Ltd. (JP) | 1984-01-25 | — | — | EP | disclosed |
| EP-0058906-A1 | 5-Methyl-2-(2'-oxo-3'-butyl) phenol and perfume compositions comprising same | Takasago Perfumery Co., Ltd. (JP) | 1982-09-01 | — | — | EP | disclosed |