Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.57 |
| ▸ | PDPK1 | O15530 | 7/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | PTGES | O14684 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | PDE5A | O76074 | 1/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | CA3 | P07451 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL6959494 | 0.91 | PTGS2 (0.58) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL6956725 | 0.88 | — | — | |
| SCHEMBL6516750 | 0.87 | PTGS2 (0.62) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL6514563 | 0.86 | PTGS2 (0.70) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL6516811 | 0.86 | PTGS2 (0.66) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL6514494 | 0.85 | PDPK1 (0.72) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL6511692 | 0.84 | PTGS2 (0.71) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL6343163 | 0.82 | PTGS2 (0.67) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL6516212 | 0.81 | PTGS2 (0.66) | PTGS2PTGS1PDPK1CYP2C9PTGES | |
| SCHEMBL6948725 | 0.81 | — | — |
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 |