Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 5/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.36 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.36 |
| ▸ | MGAT3 | Q09327 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3240895 | 0.94 | TAAR1 (0.43) | ESR1ESR2TAAR1ABHD6CYP2C19 | |
| SCHEMBL3119103 | 0.85 | GAA (0.42) | ROCK1ESR1ESR2NAMPTTIPARP | |
| SCHEMBL3120168 | 0.83 | TAAR1 (0.46) | ESR1ESR2TAAR1CYP2C19 | |
| SCHEMBL3244879 | 0.83 | LMNA (0.38) | — | |
| SCHEMBL3247392 | 0.82 | HSD17B3 (0.43) | ROCK1ESR1ESR2NAMPT | |
| SCHEMBL3128418 | 0.82 | ROCK1 (0.37) | ROCK1ESR1ESR2NAMPTTIPARP | |
| SCHEMBL3239092 | 0.81 | GRIN2B (0.43) | ROCK1ESR1ESR2 | |
| SCHEMBL3131972 | 0.81 | MAPT (0.42) | ESR1ESR2TAAR1CYP2C19 | |
| SCHEMBL3126513 | 0.81 | ESR2 (0.45) | ESR1ESR2TAAR1ABHD6CYP2C19 | |
| SCHEMBL3122093 | 0.81 | TAAR1 (0.46) | ESR1ESR2TAAR1CYP2C19 |
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 | disclosed |
| WO-2010008777-A2 | FUSED AZABICYCLIC PYRIDINES | LIGAND PHARMACEUTICALS INC. (US) | 2010-01-21 | — | — | WO | disclosed |