Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 3/20 | 0.44 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | CCR3 | P51677 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | PDE8B | O95263 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28332146 | 1.00 | NR1H2 (0.44) | NR1H2NR1H3HDAC1ALDH1A1NPC1 | |
| SCHEMBL28332149 | 1.00 | NR1H2 (0.44) | NR1H2NR1H3HDAC1ALDH1A1NPC1 | |
| SCHEMBL18608053 | 0.87 | MEN1 (0.45) | NR1H2NR1H3ALDH1A1HTTOPRK1 | |
| SCHEMBL18609579 | 0.87 | MEN1 (0.45) | NR1H2NR1H3ALDH1A1HTTOPRK1 | |
| SCHEMBL28334137 | 0.86 | NR1H2 (0.56) | NR1H2NR1H3HDAC1DPP4GPR119 | |
| SCHEMBL28334140 | 0.86 | NR1H2 (0.56) | NR1H2NR1H3HDAC1DPP4GPR119 | |
| SCHEMBL31235208 | 0.84 | GPR119 (0.46) | NR1H2NR1H3HDAC1DPP4GPR119 | |
| SCHEMBL27933734 | 0.84 | PARP1 (0.55) | NR1H2NR1H3HDAC1DPP4OPRK1 | |
| SCHEMBL28334406 | 0.83 | MAPT (0.52) | NR1H2NR1H3ALDH1A1MAPTMAPK1 | |
| SCHEMBL10132334 | 0.81 | NPSR1 (0.50) | NR1H2NR1H3ALDH1A1NPC1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-107001259-B | Substituted azetidine derivatives as TAAR ligands | 豪夫迈·罗氏有限公司 | 2019-12-06 | — | — | CN | disclosed |