Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 17/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.54 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6949198 | 0.91 | PTGS2 (0.66) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL6959677 | 0.91 | PTGS2 (0.63) | PTGS2PTGS1PDPK1 | |
| SCHEMBL6953503 | 0.89 | PTGS2 (0.69) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL6950710 | 0.88 | PTGS2 (0.71) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL6726597 | 0.87 | PTGS2 (0.74) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL6956850 | 0.87 | PTGS2 (0.53) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL6950060 | 0.87 | PTGS2 (0.70) | PTGS2PTGS1PDPK1 | |
| SCHEMBL6723191 | 0.85 | PTGS2 (0.73) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL6722703 | 0.84 | PTGS2 (0.78) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL6721983 | 0.84 | PTGS2 (0.74) | PTGS2PTGS1PDPK1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |