Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.67 |
| ▸ | CA1 | P00915 | 4/20 | 0.65 |
| ▸ | CA2 | P00918 | 4/20 | 0.65 |
| ▸ | CA9 | Q16790 | 3/20 | 0.65 |
| ▸ | MMP2 | P08253 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.54 |
| ▸ | PTGES | O14684 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | PDE5A | O76074 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CA3 | P07451 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL3869967 | 0.89 | PTGS2 (0.68) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8121677 | 0.83 | PTGS2 (0.88) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL3900112 | 0.80 | PTGS2 (1.00) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL13752026 | 0.80 | PTGS2 (0.64) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL27485627 | 0.79 | PTGS2 (0.69) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL6531306 | 0.79 | CA9 (1.00) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL6350781 | 0.79 | PTGS2 (0.69) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL6341745 | 0.79 | PTGS2 (0.78) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL6531664 | 0.79 | PTGS2 (0.78) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8119659 | 0.78 | PTGS2 (0.79) | PTGS2PTGS1CA1CA2CA9 |
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 |