Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL233191 | 0.94 | ALDH1A1 (0.67) | ALDH1A1LMNASLC15A2TDP1PAOX | |
| SCHEMBL28060459 | 0.77 | ALDH1A1 (1.00) | ALDH1A1LMNASLC15A2TDP1PAOX | |
| SCHEMBL9051136 | 0.77 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL10001 | 0.77 | — | — | |
| SCHEMBL6801343 | 0.73 | — | — | |
| SCHEMBL11615492 | 0.73 | — | — | |
| SCHEMBL6669487 | 0.73 | — | — | |
| SCHEMBL27722569 | 0.73 | — | — | |
| SCHEMBL27584016 | 0.73 | — | — | |
| SCHEMBL11837192 | 0.71 | KMT2A (0.43) | ALDH1A1TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104704092-B | Flavor and fragrance formulation (VI) | 帝斯曼知识产权资产管理有限公司 | 2018-01-02 | — | — | CN | claimed |