Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 3/20 | 0.35 |
| ▸ | RORC | P51449 | 2/20 | 0.35 |
| ▸ | PROKR1 | Q8TCW9 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22755133 | 0.93 | ALDH1A1 (0.36) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755086 | 0.88 | ALDH1A1 (0.40) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22754999 | 0.86 | HPGD (0.48) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755303 | 0.85 | HPGD (0.53) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755041 | 0.85 | ALDH1A1 (0.45) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755324 | 0.83 | TSHR (0.41) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755096 | 0.81 | CYP2C9 (0.44) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755309 | 0.79 | ALDH1A1 (0.42) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755352 | 0.77 | ALDH1A1 (0.36) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755293 | 0.76 | TAF1 (0.33) | 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 |