Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 6/20 | 0.32 |
| ▸ | IDH2 | P48735 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2149035 | 0.89 | — | — | |
| SCHEMBL3241062 | 0.85 | GFER (0.33) | GFER | |
| SCHEMBL2150027 | 0.82 | NPC1 (0.34) | — | |
| SCHEMBL3236371 | 0.81 | PTGDR2 (0.44) | PTGDR2GFER | |
| SCHEMBL3239111 | 0.81 | KDM4E (0.32) | GFER | |
| SCHEMBL3237908 | 0.80 | NPC1 (0.30) | — | |
| SCHEMBL3235804 | 0.78 | LDHA (0.33) | — | |
| SCHEMBL3347068 | 0.77 | RAB9A (0.34) | GFER | |
| SCHEMBL3243756 | 0.74 | BRD4 (0.36) | GFER | |
| SCHEMBL3240963 | 0.72 | LDHA (0.34) | GFER |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |