Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | SPR | P35270 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3244881 | 0.94 | ROCK1 (0.40) | TAAR1ESR2ESR1CYP2C19ABHD6 | |
| SCHEMBL3120168 | 0.90 | TAAR1 (0.46) | TAAR1ESR2ESR1MAPTTDP1 | |
| SCHEMBL3122093 | 0.88 | TAAR1 (0.46) | TAAR1ESR2ESR1MAPTTDP1 | |
| SCHEMBL3126513 | 0.88 | ESR2 (0.45) | TAAR1ESR2ESR1MAPTTDP1 | |
| SCHEMBL3131972 | 0.88 | MAPT (0.42) | TAAR1ESR2ESR1MAPTTDP1 | |
| SCHEMBL3249745 | 0.87 | GAA (0.49) | TAAR1ESR2ESR1MAPTTDP1 | |
| SCHEMBL3117476 | 0.87 | TAAR1 (0.41) | TAAR1ESR2ESR1MAPTTDP1 | |
| SCHEMBL3119024 | 0.87 | TAAR1 (0.46) | TAAR1ESR2ESR1MAPTTDP1 | |
| SCHEMBL3246260 | 0.86 | CYP11B1 (0.48) | TAAR1ESR2ESR1MAPTTDP1 | |
| SCHEMBL13521725 | 0.86 | CYP11B1 (0.47) | TAAR1ESR2ESR1MAPTTDP1 |
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 |