Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.65 |
| ▸ | PTGS1 | P23219 | 13/20 | 0.65 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| SCHEMBL8691665 | 0.90 | PTGS2 (0.62) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL8689316 | 0.89 | PTGS2 (0.59) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL8690962 | 0.85 | PTGS2 (0.67) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL6739227 | 0.84 | PTGS2 (0.62) | PTGS2PTGS1ABCB11ALDH1A1PDPK1 | |
| SCHEMBL8688560 | 0.81 | PTGS2 (0.70) | PTGS2PTGS1PDPK1 | |
| Sulfamide SCHEMBL7159984 | 0.80 | PTGS2 (0.76) | PTGS2PTGS1ABCB11ALDH1A1PDPK1 | |
| SCHEMBL6718865 | 0.80 | PTGS2 (0.72) | PTGS2PTGS1ABCB11ALDH1A1PDPK1 | |
| SCHEMBL7773921 | 0.79 | PTGS2 (0.65) | PTGS2PTGS1ABCB11ALDH1A1PDPK1 | |
| SCHEMBL212658 | 0.79 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1PDPK1 | |
| SCHEMBL6339240 | 0.79 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1PDPK1 |
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 |