Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 15/20 | 0.67 |
| ▸ | PTGES | O14684 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | PDE5A | O76074 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8933928 | 0.89 | PTGS2 (0.67) | PTGS2PTGS1 | |
| SCHEMBL8933854 | 0.89 | PTGS2 (0.69) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8934192 | 0.88 | PTGS2 (0.56) | PTGS2PTGS1PDPK1 | |
| SCHEMBL8934014 | 0.86 | PTGS2 (0.68) | PTGS2PTGS1PDPK1 | |
| SCHEMBL8933871 | 0.84 | PTGS2 (0.52) | PTGS2PTGS1PTGESHDAC3PDPK1 | |
| SCHEMBL6339161 | 0.82 | PTGS2 (0.74) | PTGS2PTGS1PTGES | |
| SCHEMBL8933895 | 0.80 | PTGS2 (0.75) | PTGS2PTGS1PTGES | |
| SCHEMBL8933971 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL8933930 | 0.79 | PTGS2 (0.68) | PTGS2PTGS1 | |
| SCHEMBL8934143 | 0.78 | PTGS2 (0.54) | PTGS2PTGS1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996009304-A1 | BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-03-28 | — | — | WO | claimed |
| WO-1996009304-A1 | BENZOPYRANOPYRAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-03-28 | — | — | WO | disclosed |