Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | MPI | P34949 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28606507 | 0.83 | PTGS2 (0.49) | PTGS2KDM4EHSP90AA1ALDH1A1PTGS1 | |
| SCHEMBL13548002 | 0.74 | PTGS2 (0.39) | PTGS2LMNAMAPK1KDM4EMEN1 | |
| SCHEMBL28605783 | 0.73 | L3MBTL1 (0.40) | PTGS2MAPK1KDM4EMAPTRAB9A | |
| SCHEMBL6512384 | 0.71 | PTGS2 (0.81) | PTGS2PTGS1 | |
| SCHEMBL782377 | 0.70 | PTGS2 (0.39) | PTGS2LMNAMAPK1KDM4EMEN1 | |
| SCHEMBL28613547 | 0.70 | HDAC4 (0.51) | MAPK1KDM4EMEN1HSP90AA1MAPT | |
| SCHEMBL6934036 | 0.69 | PTGS2 (0.37) | PTGS2LMNAMAPK1KDM4EMEN1 | |
| SCHEMBL7967039 | 0.69 | PTGS2 (0.37) | PTGS2LMNAMAPK1KDM4EMEN1 | |
| SCHEMBL7965515 | 0.69 | PTGS2 (0.37) | PTGS2LMNAMAPK1KDM4EMEN1 | |
| SCHEMBL811880 | 0.68 | ESR2 (0.41) | PTGS2LMNAMEN1NPC1MAPT |
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-108586397-B | Method for preparing tetronic acid by cyclizing enolization of propargyl alcohol and carbon dioxide | 四川大学 | 2021-07-02 | — | — | CN | disclosed |