Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 3/20 | 0.81 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.81 |
| ▸ | JUN | P05412 | 1/20 | 0.81 |
| ▸ | MAPT | P10636 | 3/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | NPC1 | O15118 | 1/20 | 0.66 |
| ▸ | RAB9A | P51151 | 1/20 | 0.66 |
| ▸ | ATM | Q13315 | 1/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | CA4 | P22748 | 1/20 | 0.61 |
| ▸ | BCHE | P06276 | 1/20 | 0.56 |
| ▸ | GUSB | P08236 | 1/20 | 0.56 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.52 |
| ▸ | CHRNA7 | P36544 | 3/20 | 0.51 |
| ▸ | TFEB | P19484 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL1160535 | 0.90 | NFKB1 (1.00) | NFKB1NFE2L2JUNMAPTMAPK1 | |
| SCHEMBL29539991 | 0.90 | NFKB1 (1.00) | NFKB1NFE2L2JUNMAPTMAPK1 | |
| SCHEMBL3329177 | 0.90 | NFKB1 (1.00) | NFKB1NFE2L2JUNMAPTMAPK1 | |
| SCHEMBL1160537 | 0.90 | NFKB1 (1.00) | NFKB1NFE2L2JUNMAPTMAPK1 | |
| SCHEMBL11408172 | 0.88 | NFKB1 (0.96) | NFKB1NFE2L2JUNMAPTMAPK1 | |
| SCHEMBL17068275 | 0.81 | NFKB1 (0.81) | NFKB1NFE2L2JUNMAPTMAPK1 | |
| SCHEMBL28360814 | 0.81 | NFKB1 (0.81) | NFKB1NFE2L2JUNMAPTMAPK1 | |
| SCHEMBL27781268 | 0.81 | NFKB1 (0.81) | NFKB1NFE2L2JUNMAPTMAPK1 | |
| SCHEMBL28838383 | 0.81 | NFE2L2 (0.73) | NFKB1NFE2L2JUNMAPTMAPK1 | |
| SCHEMBL28360791 | 0.80 | MAPT (1.00) | NFKB1NFE2L2JUNMAPTMAPK1 |
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-109721559-B | 1, 4-pentadiene-3-ketone derivative containing thioether triazole, preparation method and application | 贵州大学 | 2022-02-15 | — | — | CN | disclosed |