Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 17/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 12/20 | 0.67 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL8693342 | 0.91 | PTGS2 (0.70) | PTGS2PTGS1ABCB11ALDH1A1MMP2 | |
| SCHEMBL8638171 | 0.83 | PTGS2 (0.72) | PTGS2PTGS1 | |
| SCHEMBL6348199 | 0.80 | PTGS2 (0.72) | PTGS2PTGS1ABCB11ALDH1A1CA1 | |
| SCHEMBL8989537 | 0.80 | PTGS2 (0.67) | PTGS2PTGS1ABCB11ALDH1A1MMP2 | |
| SCHEMBL215341 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1CA1 | |
| SCHEMBL5425139 | 0.80 | PTGS2 (0.83) | PTGS2PTGS1ABCB11ALDH1A1CA1 | |
| SCHEMBL3249718 | 0.78 | PTGS2 (0.95) | PTGS2PTGS1ABCB11ALDH1A1CA1 | |
| SCHEMBL6339195 | 0.78 | PTGS2 (0.90) | PTGS2PTGS1ABCB11ALDH1A1CA1 | |
| SCHEMBL7789562 | 0.76 | PTGS2 (0.78) | PTGS2PTGS1ABCB11ALDH1A1CA1 | |
| SCHEMBL6352074 | 0.76 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1CA1 |
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-5760068-A | NONSTEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G.D. SEARLE & CO. (US) | 1998-06-02 | — | — | US | disclosed |
| US-5756529-A | ANTIINFLAMMATORY | G.D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |