Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 7/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.71 |
| ▸ | APP | P05067 | 3/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.71 |
| ▸ | TSHR | P16473 | 2/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.71 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.71 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.71 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.71 |
| ▸ | STAT3 | P40763 | 2/20 | 0.71 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.71 |
| ▸ | RELA | Q04206 | 2/20 | 0.71 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.71 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.71 |
| ▸ | TYR | P14679 | 2/20 | 0.71 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.71 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.71 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL29204551 | 1.00 | KDM1A (0.71) | KDM1ACYP2D6APPCYP2C9TSHR | |
| SCHEMBL459772 | 0.88 | BCHE (0.66) | KDM1AAPPKDM4EMAPTMAOA | |
| SCHEMBL459773 | 0.88 | BCHE (0.66) | KDM1AAPPKDM4EMAPTMAOA | |
| SCHEMBL15052623 | 0.88 | NFE2L2 (0.69) | CYP2C9HSD17B10CYP1A2NFKB1NFE2L2 | |
| SCHEMBL15052622 | 0.88 | NFE2L2 (0.69) | CYP2C9HSD17B10CYP1A2NFKB1NFE2L2 | |
| SCHEMBL10726474 | 0.87 | KDM1A (0.73) | KDM1ACYP2D6APPCYP2C9TSHR | |
| SCHEMBL14880218 | 0.87 | HDAC3 (0.89) | KDM1ACYP2D6APPCYP2C9TSHR | |
| Curcumin SCHEMBL28636637 | 0.84 | APP (0.94) | KDM1ACYP2D6APPCYP2C9TSHR | |
| Methyl Cis-Ferulate SCHEMBL510492 | 0.83 | EPHX2 (1.00) | KDM1ACYP2D6APPCYP2C9TSHR | |
| SCHEMBL2951016 | 0.83 | CYP2D6 (0.77) | KDM1ACYP2D6APPCYP2C9TSHR |
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-117886807-A | Ferulic acid derivative containing 1,3, 4-oxadiazole and trifluoromethyl pyrimidine | 贵阳学院 | 2024-04-16 | — | — | CN | disclosed |