Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | SPR | P35270 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | CCR3 | P51677 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22755075 | 0.82 | ALDH1A1 (0.37) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755167 | 0.80 | HRH1 (0.45) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755137 | 0.80 | HRH1 (0.45) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755080 | 0.78 | HRH1 (0.48) | SPRHRH1CCR3 | |
| SCHEMBL22755095 | 0.78 | MLNR (0.44) | SPRHRH1CCR3 | |
| SCHEMBL22755246 | 0.78 | CYP2C9 (0.61) | ALDH1A1HTTSPRCYP2C9CYP2C19 | |
| SCHEMBL22755321 | 0.78 | HRH1 (0.41) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755319 | 0.78 | EPHX2 (0.43) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755346 | 0.78 | CNR2 (0.39) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755149 | 0.74 | TSHR (0.38) | TSHRALDH1A1HPGDHTTNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3747885-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2020-12-09 | — | — | EP | disclosed |