Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | CA3 | P07451 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28512343 | 0.85 | PKM (0.67) | PKMKDM4EKMT2AGAAALDH1A1 | |
| SCHEMBL25142353 | 0.82 | CA12 (0.61) | PKMKDM4EKMT2AGAAALDH1A1 | |
| SCHEMBL27877694 | 0.80 | POLB (0.57) | KDM4EGAAALDH1A1CA12CA1 | |
| SCHEMBL27578914 | 0.80 | LMNA (0.66) | PKMKDM4EKMT2AGAAALDH1A1 | |
| SCHEMBL4735163 | 0.79 | PTGS2 (0.65) | PKMKDM4EKMT2AGAAALDH1A1 | |
| SCHEMBL15239098 | 0.78 | PKM (0.62) | PKMKDM4EKMT2AGAAALDH1A1 | |
| Syringate SCHEMBL159392 | 0.77 | CA12 (0.67) | PKMKDM4EKMT2AGAAALDH1A1 | |
| SCHEMBL29419013 | 0.77 | PKM (0.61) | PKMKDM4EKMT2AGAAALDH1A1 | |
| Sulfuric Acid SCHEMBL28735280 | 0.77 | PKM (0.56) | PKMKDM4EKMT2AGAAALDH1A1 | |
| SCHEMBL13286784 | 0.77 | PKM (0.76) | PKMKDM4EKMT2AGAAALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114315927-B | Berry aroma compound, preparation method thereof and strawberry aroma essence | 东莞波顿香料有限公司 | 2023-11-17 | — | — | CN | claimed |
| CN-114540120-A | Mixed fruit flavor compound and blackcurrant perfume essence | 东莞波顿香料有限公司 | 2022-05-27 | — | — | CN | claimed |
| CN-114315927-B | Berry aroma compound, preparation method thereof and strawberry aroma essence | 东莞波顿香料有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-114540120-A | Mixed fruit flavor compound and blackcurrant perfume essence | 东莞波顿香料有限公司 | 2022-05-27 | — | — | CN | disclosed |