Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 4/20 | 0.47 |
| ▸ | CYP24A1 | Q07973 | 6/20 | 0.44 |
| ▸ | CYP27A1 | Q02318 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ELOVL6 | Q9H5J4 | 2/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | TDP2 | O95551 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.36 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL316167 | 0.80 | MAPT (0.51) | MAPTHTR6ACHEDRD2HTR2A | |
| SCHEMBL11839038 | 0.73 | CYP26A1 (0.46) | CYP26A1CYP24A1CYP27A1TDP2DRD2 | |
| SCHEMBL28222973 | 0.69 | NPC1 (0.49) | MAPTHTR6DRD2HTR2AHTR2C | |
| SCHEMBL21060836 | 0.68 | PTGS2 (0.41) | MAPTELOVL6HTR2AHTR2C | |
| SCHEMBL16738816 | 0.68 | ACHE (0.49) | MAPTHTR6ACHE | |
| SCHEMBL3276920 | 0.67 | METAP1 (0.44) | MAPTACHEDRD2HTR2AHTR2C | |
| SCHEMBL2388879 | 0.66 | CASP1 (0.55) | MAPK14TDP2HTR2AHTR2CHTR2B | |
| SCHEMBL11784556 | 0.66 | HTR6 (0.77) | MAPTHTR6SIGMAR1 | |
| SCHEMBL21060838 | 0.65 | MAPT (0.63) | MAPTHTR6ACHEHTR2AHTR2C | |
| SCHEMBL11855191 | 0.64 | TDP2 (0.46) | CYP26A1CYP24A1TDP2HTR2AHTR2C |
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-113307749-B | Method for synthesizing beta-ketosulfone derivative under mild condition and obtained beta-ketosulfone derivative | 佛山湘潭大学绿色智造研究院 | 2022-09-09 | — | — | CN | disclosed |