Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 16/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3124617 | 0.94 | GRIN2B (0.42) | GRIN2BHSD17B3ESR1ESR2MAPK1 | |
| SCHEMBL13521688 | 0.90 | GRIN2B (0.41) | GRIN2B | |
| SCHEMBL3247392 | 0.89 | HSD17B3 (0.43) | GRIN2BROCK1HSD17B3ESR1ESR2 | |
| SCHEMBL3239090 | 0.85 | GRIN2B (0.41) | GRIN2BGRIN1 | |
| SCHEMBL3264528 | 0.85 | MAPK1 (0.44) | GRIN2BHSD17B3ESR1ESR2MAPK1 | |
| SCHEMBL3128418 | 0.85 | ROCK1 (0.37) | ROCK1HSD17B3ESR1ESR2MAPK1 | |
| SCHEMBL3118590 | 0.84 | ESR2 (0.45) | ESR1ESR2MAPK1 | |
| SCHEMBL3127545 | 0.84 | MAPK1 (0.41) | ESR1ESR2MAPK1 | |
| SCHEMBL13521598 | 0.83 | HSD17B3 (0.43) | GRIN2BHSD17B3ESR1ESR2MAPK1 | |
| SCHEMBL3127648 | 0.83 | GAA (0.43) | GRIN2BESR2MAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010008777-A2 | FUSED AZABICYCLIC PYRIDINES | LIGAND PHARMACEUTICALS INC. (US) | 2010-01-21 | — | — | WO | claimed |
| WO-2010008777-A2 | FUSED AZABICYCLIC PYRIDINES | LIGAND PHARMACEUTICALS INC. (US) | 2010-01-21 | — | — | WO | disclosed |