Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 12/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | LDHB | P07195 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7504997 | 0.88 | PTGS2 (0.63) | PTGS2PTGS1CA1CA2CA12 | |
| SCHEMBL6002469 | 0.85 | PTGS2 (0.50) | PTGS2PTGS1CA1CA2CA12 | |
| SCHEMBL5823861 | 0.85 | PTGS2 (0.50) | PTGS2PTGS1CA1CA2CA12 | |
| SCHEMBL8619059 | 0.78 | NR4A2 (0.53) | PTGS2PTGS1SOS1LDHALDHB | |
| SCHEMBL5732860 | 0.78 | PTGS2 (0.62) | PTGS2PTGS1 | |
| SCHEMBL5732399 | 0.78 | PTGS2 (0.62) | PTGS2PTGS1 | |
| SCHEMBL6000527 | 0.77 | PTGS2 (0.48) | PTGS2PTGS1 | |
| SCHEMBL6000535 | 0.75 | PTGS2 (0.63) | PTGS2PTGS1 | |
| SCHEMBL8145237 | 0.75 | PTGS2 (0.51) | PTGS2PTGS1SOS1CA1CA2 | |
| SCHEMBL27638570 | 0.74 | CYP1A2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6090834-A | ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS | G.D. SEARLE & CO. (US) | 2000-07-18 | — | — | US | disclosed |
| WO-1996036617-A1 | SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-11-21 | — | — | WO | disclosed |