Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL513632 | 0.75 | — | — | |
| SCHEMBL27821671 | 0.71 | PTGS1 (0.45) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL3563111 | 0.70 | FFAR3 (0.43) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL9511691 | 0.70 | TDP1 (0.33) | — | |
| SCHEMBL536402 | 0.70 | PTGS1 (0.35) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL918089 | 0.69 | OR51E2 (0.40) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL513587 | 0.69 | — | — | |
| Potassium SCHEMBL9347201 | 0.69 | PTGS1 (0.33) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL7057221 | 0.67 | PTGS1 (0.47) | PTGS1PDE4ALMNASLC6A6CYP2C19 | |
| SCHEMBL7019166 | 0.67 | PTGS1 (0.32) | PTGS1PDE4ALMNASLC6A6CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0419795-A1 | 2,4-pentanedione-1,5-disulfonic acid and method for preparing the same | ATOCHEM NORTH AMERICA, INC. (US) | 1991-04-03 | — | — | EP | claimed |
| EP-0419795-A1 | 2,4-pentanedione-1,5-disulfonic acid and method for preparing the same | ATOCHEM NORTH AMERICA, INC. (US) | 1991-04-03 | — | — | EP | disclosed |