Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 8/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 8/20 | 0.37 |
| ▸ | RXRA | P19793 | 5/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.34 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19446285 | 0.85 | PTGS2 (0.39) | PTGS2PIK3CDPIK3CGMAPK1 | |
| SCHEMBL12524837 | 0.83 | PTGS2 (0.50) | PTGS2PIK3CDPIK3CGPDE4B | |
| SCHEMBL19446231 | 0.83 | PTGS2 (0.37) | PTGS2PIK3CDPIK3CG | |
| SCHEMBL18948325 | 0.80 | PTGS2 (0.42) | PTGS2 | |
| SCHEMBL19446253 | 0.79 | MAP3K12 (0.46) | GRIN1GRIN2BRXRA | |
| SCHEMBL11918256 | 0.78 | GAA (0.39) | GRIN1GRIN2BRXRAKMT2AMAPK1 | |
| SCHEMBL9970977 | 0.78 | CYP3A4 (0.41) | PTGS2GRIN1GRIN2BRXRAPDE4B | |
| SCHEMBL189205 | 0.77 | PIK3CA (0.37) | GRIN1GRIN2BRXRAPIK3CDPIK3CB | |
| SCHEMBL19355761 | 0.77 | FPR2 (0.42) | PTGS2KMT2A | |
| SCHEMBL19446235 | 0.76 | KDM4E (0.39) | PTGS2KMT2A |
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-2516417-B1 | ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE | VERTEX PHARMA (US) | 2017-10-11 | — | — | EP | disclosed |