Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.63 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.51 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8904051 | 0.88 | PTGS2 (0.69) | PTGS2PTGS1PDPK1 | |
| SCHEMBL5073550 | 0.85 | PTGS2 (0.61) | PTGS2PTGS1HDAC3HDAC1HDAC2 | |
| SCHEMBL15422948 | 0.82 | HDAC3 (0.71) | PTGS2PTGS1HDAC3HDAC1HDAC2 | |
| SCHEMBL3244766 | 0.78 | PTGS2 (1.00) | PTGS2PTGS1PDPK1 | |
| SCHEMBL5069836 | 0.77 | PTGS2 (0.64) | PTGS2PTGS1HDAC3HDAC1HDAC2 | |
| SCHEMBL5858032 | 0.75 | PTGS2 (0.70) | PTGS2PTGS1PDPK1 | |
| SCHEMBL3114291 | 0.74 | HDAC3 (0.73) | PTGS2PTGS1HDAC3HDAC1HDAC2 | |
| SCHEMBL27811209 | 0.74 | HDAC3 (0.51) | PTGS2PTGS1HDAC3HDAC1HDAC2 | |
| SCHEMBL27789922 | 0.74 | HDAC3 (0.47) | PTGS2PTGS1HDAC3HDAC1HDAC2 | |
| SCHEMBL6251010 | 0.74 | HDAC3 (0.68) | PTGS2PTGS1HDAC3HDAC1HDAC2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997038986-A1 | SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS | G.D. SEARLE & CO. (US) | 1997-10-23 | — | — | WO | claimed |