Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 19/20 | 0.75 |
| ▸ | PTGS1 | P23219 | 12/20 | 0.75 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.75 |
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 | |
|---|---|---|---|---|
| SCHEMBL6343102 | 0.88 | PTGS2 (0.84) | PTGS2PTGS1ABCB11ALDH1A1 | |
| Deracoxib SCHEMBL29593653 | 0.86 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1 | |
| Deracoxib SCHEMBL24645 | 0.86 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL6349615 | 0.86 | PTGS2 (0.81) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL7789625 | 0.85 | PTGS2 (0.80) | PTGS2PTGS1ABCB11ALDH1A1 | |
| Deracoxib SCHEMBL6601340 | 0.85 | PTGS2 (0.98) | PTGS2PTGS1ABCB11ALDH1A1 | |
| Deracoxib SCHEMBL28723602 | 0.85 | PTGS2 (0.98) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL6345465 | 0.85 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1 | |
| Deracoxib SCHEMBL6599167 | 0.82 | PTGS2 (0.91) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL213308 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1104758-B1 | Acetylene derivatives as anti-inflammatory/analgesic agents | PFIZER PROD INC (US) | 2003-07-23 | — | — | EP | claimed |
| EP-1104758-A1 | Acetylene derivatives as anti-inflammatory/analgesic agents | Pfizer Products Inc. (US) | 2001-06-06 | — | — | EP | claimed |
| EP-1104758-B1 | Acetylene derivatives as anti-inflammatory/analgesic agents | PFIZER PROD INC (US) | 2003-07-23 | — | — | EP | disclosed |
| US-6506779-B1 | useful in the treatment or alleviation of inflammation and other inflammation associated disorders, such as arthritis, colon cancer, and Alzheimer's disease in mammals, preferably humans, dogs, cats and livestock. | PFIZER INC. | 2003-01-14 | — | — | US | disclosed |
| EP-1104758-A1 | Acetylene derivatives as anti-inflammatory/analgesic agents | Pfizer Products Inc. (US) | 2001-06-06 | — | — | EP | disclosed |