Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.76 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.63 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 6/20 | 0.55 |
| ▸ | CA2 | P00918 | 6/20 | 0.55 |
| ▸ | CA9 | Q16790 | 6/20 | 0.55 |
| ▸ | CA12 | O43570 | 5/20 | 0.55 |
| ▸ | CA5A | P35218 | 3/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.55 |
| ▸ | CA3 | P07451 | 2/20 | 0.55 |
| ▸ | CA6 | P23280 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | PTGES | O14684 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | PDE5A | O76074 | 1/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7210689 | 0.88 | PTGS2 (0.77) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL5314020 | 0.88 | CHRNA7 (0.60) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL3021555 | 0.88 | PTGS2 (0.77) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL7215363 | 0.88 | PTGS2 (0.59) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL3035286 | 0.88 | PTGS2 (0.59) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL3025180 | 0.88 | PTGS2 (0.68) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL3026121 | 0.88 | CHRNA7 (0.60) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL3021477 | 0.88 | PTGS2 (0.67) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL7216218 | 0.88 | PTGS2 (0.76) | PTGS2PTGS1CHRNA7CA1CA2 | |
| SCHEMBL7212097 | 0.86 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1369415-A1 | Substituted pyrrolyl compounds for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2003-12-10 | — | — | EP | disclosed |