Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.37 |
| ▸ | MELK | Q14680 | 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 | |
|---|---|---|---|---|
| SCHEMBL6561108 | 0.87 | CA1 (0.47) | PTGS2PTGS1 | |
| SCHEMBL5693528 | 0.77 | PTGS2 (0.61) | PTGS2PTGS1ALOX5CYP2D6 | |
| SCHEMBL17369543 | 0.71 | PTGS2 (0.64) | PTGS2PTGS1KDM5AKDM4CKDM5B | |
| SCHEMBL8953896 | 0.70 | PTGS2 (0.65) | PTGS2PTGS1KDM5AKDM4CKDM5B | |
| SCHEMBL5698465 | 0.70 | PTGS2 (0.65) | PTGS2PTGS1KDM5AKDM4CKDM5B | |
| SCHEMBL8954490 | 0.70 | PTGS2 (0.57) | PTGS2PTGS1KDM5AKDM4CKDM5B | |
| SCHEMBL9260230 | 0.70 | PTGS2 (0.65) | PTGS2PTGS1KDM5AKDM4CKDM5B | |
| SCHEMBL3115552 | 0.69 | LOX (0.42) | PTGS2PTGS1ALOX5MELK | |
| SCHEMBL27796769 | 0.68 | ALOX5 (0.46) | PTGS2PTGS1ALOX5MELK | |
| SCHEMBL18433642 | 0.68 | PTGS2 (0.43) | PTGS2PTGS1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1384477-B1 | UTILIZATION OF PYRAZOLINE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR THE PREVENTION AND/OR TREATMENT OF PROLIFERATIVE CELL DISEASES | ESTEVE LABOR DR (ES) | 2006-05-24 | — | — | EP | claimed |
| CN-1189459-C | Pyrazoline derivatives, process for their preparation and their use as medicaments | ESTEVE LABOR DR (ES) | 2005-02-16 | — | — | CN | claimed |
| EP-1083171-B1 | PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2004-04-28 | — | — | EP | claimed |
| CN-1307566-A | Pyrazoline derivatives, their prep. and application as medicaments | ESTEVE LABOR DR (ES) | 2001-08-08 | — | — | CN | claimed |
| EP-1083171-A1 | PYRAZOLINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2001-03-14 | — | — | EP | claimed |