Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 19/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.59 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8195201 | 0.83 | PTGS2 (0.44) | PTGS2PTGS1 | |
| SCHEMBL4575852 | 0.74 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL29671475 | 0.74 | PTGS2 (1.00) | PTGS2PTGS1 | |
| SCHEMBL5209954 | 0.74 | PTGS2 (0.74) | PTGS2PTGS1 | |
| SCHEMBL6741606 | 0.72 | PTGS2 (0.51) | PTGS2PTGS1 | |
| SCHEMBL5208275 | 0.72 | PTGS2 (0.82) | PTGS2PTGS1 | |
| SCHEMBL6846585 | 0.72 | PTGS2 (0.44) | PTGS2PTGS1SOS1 | |
| SCHEMBL7788115 | 0.71 | PTGS2 (0.50) | PTGS2PTGS1 | |
| SCHEMBL5742230 | 0.71 | PTGS2 (0.77) | PTGS2PTGS1 | |
| SCHEMBL5208069 | 0.71 | PTGS2 (0.77) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004093813-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CALCIUM MODULATING AGENT FOR THE TREATMENT OF PAIN, INFLAMMATION OR INFLAMMATION MEDIATED DISORDERS | PHARMACIA CORPORATION (US) | 2004-11-04 | — | — | WO | disclosed |