Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Ferulate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.86 |
| ▸ | CA12 | O43570 | 2/20 | 0.86 |
| ▸ | CA1 | P00915 | 2/20 | 0.86 |
| ▸ | CA2 | P00918 | 2/20 | 0.86 |
| ▸ | CA3 | P07451 | 2/20 | 0.86 |
| ▸ | PKM | P14618 | 2/20 | 0.86 |
| ▸ | CA4 | P22748 | 2/20 | 0.86 |
| ▸ | CA6 | P23280 | 2/20 | 0.86 |
| ▸ | CA5A | P35218 | 2/20 | 0.86 |
| ▸ | SNCA | P37840 | 2/20 | 0.86 |
| ▸ | CA7 | P43166 | 2/20 | 0.86 |
| ▸ | CA9 | Q16790 | 2/20 | 0.86 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.86 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.86 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.86 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.86 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.86 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.86 |
| ▸ | APP | P05067 | 4/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.69 |
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 | |
|---|---|---|---|---|
| Ferulate SCHEMBL28301333 | 1.00 | KDM4E (0.86) | KDM4ECA12CA1CA2CA3 | |
| Ferulate SCHEMBL29362602 | 0.93 | KDM4E (1.00) | KDM4ECA12CA1CA2CA3 | |
| Ferulate SCHEMBL29365367 | 0.93 | KDM4E (1.00) | KDM4ECA12CA1CA2CA3 | |
| Ferulate SCHEMBL15673 | 0.93 | KDM4E (1.00) | KDM4ECA12CA1CA2CA3 | |
| Ferulate SCHEMBL1703377 | 0.93 | KDM4E (1.00) | KDM4ECA12CA1CA2CA3 | |
| Ferulate SCHEMBL29481134 | 0.93 | KDM4E (1.00) | KDM4ECA12CA1CA2CA3 | |
| Ferulate SCHEMBL30210805 | 0.93 | KDM4E (1.00) | KDM4ECA12CA1CA2CA3 | |
| Ferulate SCHEMBL30760602 | 0.93 | KDM4E (1.00) | KDM4ECA12CA1CA2CA3 | |
| Ferulate SCHEMBL30880441 | 0.93 | KDM4E (1.00) | KDM4ECA12CA1CA2CA3 | |
| Ferulate SCHEMBL1908219 | 0.93 | KDM4E (1.00) | KDM4ECA12CA1CA2CA3 |
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-109867733-A | The cyclodextrine derivatives and preparation method thereof of a kind of ferulic acid modification | 天津工业大学 | 2019-06-11 | — | — | CN | disclosed |