Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.72 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.72 |
| ▸ | CA12 | O43570 | 3/20 | 0.72 |
| ▸ | CA1 | P00915 | 3/20 | 0.72 |
| ▸ | CA2 | P00918 | 3/20 | 0.72 |
| ▸ | CA9 | Q16790 | 3/20 | 0.72 |
| ▸ | MT-CO2 | P00403 | 3/20 | 0.72 |
| ▸ | LMNA | P02545 | 1/20 | 0.72 |
| ▸ | CA3 | P07451 | 1/20 | 0.72 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.72 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.72 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.72 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.72 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.72 |
| ▸ | CA4 | P22748 | 1/20 | 0.72 |
| ▸ | CA6 | P23280 | 1/20 | 0.72 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.72 |
| ▸ | PDE4A | P27815 | 1/20 | 0.72 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL6170420 | 0.85 | PTGS2 (0.82) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL6168344 | 0.84 | PTGS2 (1.00) | PTGS2PTGS1CA12CA1CA2 | |
| Valdecoxib SCHEMBL3356 | 0.84 | PTGS2 (1.00) | PTGS2PTGS1CA12CA1CA2 | |
| Valdecoxib SCHEMBL3853130 | 0.84 | PTGS2 (1.00) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL4888365 | 0.83 | PTGS2 (0.78) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL14267686 | 0.83 | PTGS2 (1.00) | PTGS2PTGS1CA12CA1CA2 | |
| Valdecoxib SCHEMBL5999213 | 0.83 | PTGS2 (0.97) | PTGS2PTGS1CA12CA1CA2 | |
| Valdecoxib SCHEMBL6601157 | 0.83 | PTGS2 (0.97) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL7799111 | 0.83 | PTGS2 (0.78) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL4800858 | 0.83 | PTGS2 (1.00) | PTGS2PTGS1CA12CA1CA2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1528059-A2 | Substituted isoxazoles for the treatment of inflammation | G.D. Searle LLC (US) | 2005-05-04 | — | — | EP | disclosed |
| EP-1223167-A2 | Substituted isoxazoles for the treatment of inflammation | G.D. Searle & Co. (US) | 2002-07-17 | — | — | EP | disclosed |
| US-5985902-A | TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISORDERS, SUCH AS ARTHRITIS | G.D. SEARLE & CO. (US) | 1999-11-16 | — | — | US | disclosed |
| EP-0809636-A1 | SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-12-03 | — | — | EP | disclosed |
| US-5633272-A | Substituted isoxazoles for the treatment of inflammation | PHARMACIA & UPJOHN COMPANY LLC | 1997-05-27 | — | — | US | disclosed |
| WO-1996025405-A1 | SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-22 | — | — | WO | disclosed |