Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.77 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | F3 | P13726 | 2/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.49 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2126013 | 0.87 | HSD11B1 (1.00) | HSD11B1TNFRSF1ALMNAALDH1A1TP53 | |
| SCHEMBL2126010 | 0.87 | HSD11B1 (1.00) | HSD11B1TNFRSF1ALMNAALDH1A1TP53 | |
| SCHEMBL626045 | 0.82 | TYR (0.76) | HSD11B1LMNACYP2D6CYP2C9F3 | |
| SCHEMBL626046 | 0.82 | TYR (0.76) | HSD11B1LMNACYP2D6CYP2C9F3 | |
| SCHEMBL25199560 | 0.80 | FOS (0.65) | HSD11B1ALDH1A1CYP2D6CYP2C9F3 | |
| SCHEMBL28741093 | 0.80 | F3 (0.50) | HSD11B1LMNAALDH1A1CYP2D6CYP2C9 | |
| SCHEMBL8857933 | 0.80 | CYP1A2 (0.77) | HSD11B1LMNAALDH1A1TP53CYP2D6 | |
| SCHEMBL29428454 | 0.80 | ESR1 (0.51) | HSD11B1LMNAALDH1A1CYP2D6CYP2C9 | |
| SCHEMBL8857962 | 0.80 | CYP1A2 (0.77) | HSD11B1LMNAALDH1A1TP53CYP2D6 | |
| SCHEMBL28357102 | 0.80 | HSD11B1 (0.84) | HSD11B1TNFRSF1ALMNAALDH1A1TP53 |
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 |