Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 2/20 | 0.39 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22755149 | 0.88 | TSHR (0.38) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755346 | 0.83 | CNR2 (0.39) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755317 | 0.83 | TSHR (0.39) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755004 | 0.82 | SPR (0.37) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755307 | 0.78 | FASN (0.48) | SMN1; SMN2LMNAMAPT | |
| SCHEMBL22754859 | 0.77 | SPR (0.45) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755133 | 0.76 | ALDH1A1 (0.36) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22754863 | 0.76 | CYP2C9 (0.54) | ALDH1A1HTTLMNAMAPTKDM1A | |
| SCHEMBL22755241 | 0.75 | AVPR1A (0.51) | TSHRALDH1A1HPGDHTTNPSR1 | |
| SCHEMBL22755075 | 0.74 | ALDH1A1 (0.37) | 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 |