Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | AR | P10275 | 3/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22199016 | 0.89 | ACHE (0.50) | ACHEALDH1A1CYP3A4TRPA1AR | |
| SCHEMBL779089 | 0.88 | ACHE (0.53) | ACHEALDH1A1ARMAPK14SLC6A2 | |
| SCHEMBL27115327 | 0.85 | ALDH1A1 (0.44) | ACHEALDH1A1CYP3A4HTR1ASLC6A2 | |
| SCHEMBL14662668 | 0.83 | EPAS1 (0.42) | ACHEHTR1ASLC6A2SLC6A4 | |
| SCHEMBL26186321 | 0.83 | SLC6A4 (0.39) | ACHEALDH1A1CYP3A4TRPA1HTR1A | |
| SCHEMBL22199022 | 0.82 | HSPB1 (0.45) | ACHEALDH1A1ARHTR1ASLC6A2 | |
| SCHEMBL26493853 | 0.82 | ACHE (0.46) | ACHEALDH1A1CYP3A4TRPA1HTR1A | |
| SCHEMBL22069740 | 0.80 | CYP19A1 (0.43) | ALDH1A1CYP3A4NQO2TRPA1MAPT | |
| SCHEMBL27115328 | 0.80 | EPAS1 (0.38) | ACHEALDH1A1HTR1ASLC6A2SLC6A4 | |
| SCHEMBL11883 | 0.80 | ACHE (0.62) | ACHEALDH1A1CYP3A4NPC1MAPT |
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-3666769-A1 | NOVEL CASPASE INHIBITORS | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2020-06-17 | — | — | EP | disclosed |