Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.42 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.42 |
| ▸ | TDP2 | O95551 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | MPI | P34949 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8464958 | 0.98 | PTGS2 (0.43) | PTGS2HAO1TDP2GSK3BMAPK1 | |
| SCHEMBL6338000 | 0.83 | PTGS2 (0.47) | PTGS2HAO1TDP2GSK3BMAPK1 | |
| SCHEMBL11270084 | 0.82 | PTGS2 (0.61) | PTGS2GSK3BMAOAMAOB | |
| SCHEMBL6702892 | 0.82 | PTGS2 (0.59) | PTGS2TDP2GSK3BSENP1GAA | |
| SCHEMBL30999973 | 0.78 | PTGS2 (0.43) | PTGS2GSK3BALDH1A1SENP1MEN1 | |
| SCHEMBL187764 | 0.78 | PTGS2 (0.61) | PTGS2GSK3B | |
| SCHEMBL11156353 | 0.74 | XDH (0.48) | PTGS2ALDH1A1MAPTKMT2AKDM4E | |
| SCHEMBL18973134 | 0.74 | HAO1 (0.37) | HAO1TDP2MAPK1ALDH1A1MEN1 | |
| SCHEMBL18973132 | 0.74 | MAOA (0.47) | PTGS2HAO1TDP2MEN1MAPT | |
| Hydrochloric Acid SCHEMBL30999924 | 0.73 | MAPT (0.47) | PTGS2GSK3BALDH1A1MAPTNPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0021228-B1 | 4-SUBSTITUTED-3-HYDROXY-3-PYRROLINE-2,5-DIONE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | MERCK & CO. INC. (US) | 1982-09-01 | — | — | EP | claimed |
| US-4256758-A | 4-Substituted-3-hydroxy-3-pyrroline-2,5-dione inhibitors of glycolic acid oxidase | MERCK & CO., INC. (US) | 1981-03-17 | — | — | US | claimed |
| EP-0021228-A1 | 4-Substituted-3-hydroxy-3-pyrroline-2,5-dione compounds, process for their preparation and pharmaceutical compositions containing the same | MERCK & CO. INC. (US) | 1981-01-07 | — | — | EP | claimed |