Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | ACLY | P53396 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8691532 | 0.88 | PTGS2 (0.55) | PTGS2PTGS1ALDH1A1ABCB11ACLY | |
| SCHEMBL8693376 | 0.88 | PTGS2 (0.57) | PTGS2PTGS1ALDH1A1ABCB11ACLY | |
| SCHEMBL8689331 | 0.84 | PTGS2 (0.49) | PTGS2PTGS1ACLY | |
| SCHEMBL8689218 | 0.84 | PTGS2 (0.41) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL8688398 | 0.84 | PTGS1 (0.53) | PTGS2PTGS1ALDH1A1ABCB11KDM4E | |
| SCHEMBL8688860 | 0.83 | PTGS2 (0.52) | PTGS2PTGS1 | |
| SCHEMBL8618309 | 0.82 | PTGS2 (0.51) | PTGS2PTGS1 | |
| Benzene SCHEMBL7058431 | 0.82 | PTGS2 (0.51) | PTGS2PTGS1 | |
| SCHEMBL8688528 | 0.82 | PTGS2 (0.46) | PTGS2PTGS1ALDH1A1ABCB11ACLY | |
| SCHEMBL8689367 | 0.82 | PTGS2 (0.39) | PTGS2PTGS1ALDH1A1 |
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 3 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 | claimed |
| 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 |