Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.60 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.60 |
| ▸ | PDE5A | O76074 | 4/20 | 0.52 |
| ▸ | CNR1 | P21554 | 3/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4020100 | 0.93 | PTGS2 (0.52) | PTGS2PTGS1PDE5ACNR1CNR2 | |
| SCHEMBL4025696 | 0.93 | PDE5A (0.52) | PTGS2PTGS1PDE5ACNR1CNR2 | |
| SCHEMBL4021459 | 0.92 | PDE5A (0.51) | PTGS2PTGS1PDE5ACNR1CNR2 | |
| SCHEMBL4023890 | 0.92 | PDE5A (0.59) | PTGS2PTGS1PDE5ACNR1 | |
| SCHEMBL4020475 | 0.91 | PDE5A (0.50) | PTGS2PTGS1PDE5ACNR1CNR2 | |
| SCHEMBL4019101 | 0.91 | PDE5A (0.50) | PTGS2PTGS1PDE5ACNR1 | |
| SCHEMBL4020563 | 0.90 | PDE5A (0.55) | PTGS2PTGS1PDE5A | |
| SCHEMBL4020479 | 0.88 | MAPT (0.57) | PTGS2PTGS1PDE5ACNR1 | |
| SCHEMBL4024652 | 0.88 | PDE5A (0.47) | PTGS2PTGS1PDE5ACNR1CNR2 | |
| SCHEMBL5693406 | 0.87 | PTGS2 (0.76) | PTGS2PTGS1PDE5A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101018771-A | Derivatives of pyrazoline, procedure for obtaining them and use thereof as therapeutic agents | ESTEVE LABOR DR (ES) | 2007-08-15 | — | — | CN | claimed |
| CN-101018771-A | Derivatives of pyrazoline, procedure for obtaining them and use thereof as therapeutic agents | ESTEVE LABOR DR (ES) | 2007-08-15 | — | — | CN | disclosed |