Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAPN1 | P07384 | 1/20 | 0.85 |
| ▸ | CTSB | P07858 | 1/20 | 0.85 |
| ▸ | BACE1 | P56817 | 3/20 | 0.81 |
| ▸ | MAPT | P10636 | 4/20 | 0.78 |
| ▸ | MEN1 | O00255 | 2/20 | 0.78 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.78 |
| ▸ | STAT3 | P40763 | 1/20 | 0.67 |
| ▸ | XDH | P47989 | 1/20 | 0.66 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.63 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.62 |
| ▸ | DPP4 | P27487 | 1/20 | 0.62 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.62 |
| ▸ | RELA | Q04206 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
| ▸ | JUN | P05412 | 1/20 | 0.61 |
| ▸ | F3 | P13726 | 1/20 | 0.60 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL3204166 | 0.90 | BACE1 (1.00) | CAPN1CTSBBACE1MAPTMEN1 | |
| SCHEMBL3204181 | 0.90 | BACE1 (1.00) | CAPN1CTSBBACE1MAPTMEN1 | |
| SCHEMBL5598357 | 0.89 | MAPT (1.00) | CAPN1CTSBBACE1MAPTMEN1 | |
| SCHEMBL5598355 | 0.89 | MAPT (1.00) | CAPN1CTSBBACE1MAPTMEN1 | |
| SCHEMBL1976945 | 0.86 | CYP1A2 (0.81) | CAPN1CTSBBACE1MAPTMEN1 | |
| SCHEMBL18508908 | 0.85 | MAPT (0.81) | CAPN1CTSBBACE1MAPTMEN1 | |
| SCHEMBL28609815 | 0.84 | F3 (0.86) | CAPN1CTSBBACE1MAPTMEN1 | |
| SCHEMBL28838366 | 0.83 | MAPT (0.67) | CAPN1CTSBBACE1MAPTMEN1 | |
| SCHEMBL7180313 | 0.82 | TNFRSF1A (0.86) | CAPN1CTSBBACE1MAPTMEN1 | |
| SCHEMBL29600833 | 0.82 | TNFRSF1A (0.86) | CAPN1CTSBBACE1MAPTMEN1 |
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-114634465-B | Pentadienone derivative containing sulfonyl piperazine as well as preparation method and application thereof | 贵州大学 | 2023-05-30 | — | — | CN | disclosed |
| CN-114634465-A | Sulfonyl piperazine-containing pentadiene ketone derivative and preparation method and application thereof | 贵州大学 | 2022-06-17 | — | — | CN | disclosed |
| CN-108530435-B | Quinoxaline-containing 1, 4-pentadiene-3-ketone derivative, preparation method and application | 贵州大学 | 2021-08-17 | — | — | CN | disclosed |
| CN-106928176-B | Coumarin-containing 1, 4-pentadiene-3-ketone derivative and preparation method and application thereof | 贵州大学 | 2020-02-18 | — | — | CN | disclosed |