Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13521598 | 0.94 | HSD17B3 (0.43) | HSD17B3GRIN2BCYP11B1CYP11B2ESR1 | |
| SCHEMBL3239092 | 0.89 | GRIN2B (0.43) | HSD17B3GRIN2BGRIN1ROCK1ESR1 | |
| SCHEMBL3128418 | 0.88 | ROCK1 (0.37) | HSD17B3ROCK1ESR1ESR2NAMPT | |
| SCHEMBL13521725 | 0.87 | CYP11B1 (0.47) | HSD17B3CYP11B1CYP11B2ESR1ESR2 | |
| SCHEMBL3118590 | 0.87 | ESR2 (0.45) | CYP11B1CYP11B2ESR1ESR2MAPT | |
| SCHEMBL3127545 | 0.87 | MAPK1 (0.41) | CYP11B1CYP11B2ESR1ESR2MAPT | |
| SCHEMBL13521728 | 0.86 | ALOX15 (0.42) | GRIN2BGRIN1ROCK1 | |
| SCHEMBL3251460 | 0.85 | CHRM4 (0.42) | GRIN2BCYP11B1CYP11B2ESR1ESR2 | |
| SCHEMBL3243098 | 0.85 | GRIN2B (0.41) | GRIN2BCYP11B1CYP11B2ESR1ESR2 | |
| SCHEMBL3247390 | 0.85 | GRIN2B (0.39) | HSD17B3GRIN2BGRIN1CYP11B1CYP11B2 |
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 3 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 |
| WO-2010008777-A2 | FUSED AZABICYCLIC PYRIDINES | LIGAND PHARMACEUTICALS INC. (US) | 2010-01-21 | — | — | WO | disclosed |