Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.68 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.68 |
| ▸ | CA9 | Q16790 | 3/20 | 0.68 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.68 |
| ▸ | CA1 | P00915 | 2/20 | 0.68 |
| ▸ | CA2 | P00918 | 2/20 | 0.68 |
| ▸ | PTGES | O14684 | 1/20 | 0.68 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.68 |
| ▸ | CA12 | O43570 | 1/20 | 0.68 |
| ▸ | PDE5A | O76074 | 1/20 | 0.68 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.68 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | CA3 | P07451 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL3862995 | 0.89 | PTGS2 (0.67) | PTGS2PTGS1CYP2C9CA9PDPK1 | |
| SCHEMBL2602400 | 0.85 | PTGS2 (0.80) | PTGS2PTGS1CYP2C9CA9PDPK1 | |
| SCHEMBL5430454 | 0.84 | PTGS2 (0.71) | PTGS2PTGS1CYP2C9CA9PDPK1 | |
| SCHEMBL212919 | 0.84 | CYP2C9 (0.90) | PTGS2PTGS1CYP2C9CA9PDPK1 | |
| SCHEMBL5424001 | 0.83 | PTGS2 (0.70) | PTGS2PTGS1CYP2C9CA9PDPK1 | |
| SCHEMBL6372136 | 0.82 | PTGS2 (0.82) | PTGS2PTGS1CYP2C9CA9PDPK1 | |
| Celecoxib SCHEMBL3669597 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9CA9PDPK1 | |
| Celecoxib SCHEMBL3708 | 0.81 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9CA9PDPK1 | |
| SCHEMBL5427438 | 0.81 | PTGS2 (0.67) | PTGS2PTGS1CYP2C9CA9PDPK1 | |
| SCHEMBL6372144 | 0.81 | PTGS2 (0.80) | PTGS2PTGS1CYP2C9CA9PDPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7521435-B2 | Silicon containing compounds having selective COX-2 inhibitory activity and methods of making and using the same | PHARMA DIAGNOSTICS, N.V. (BE) | 2009-04-21 | — | — | US | claimed |