Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KHK | P50053 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23370329 | 0.89 | ADORA2A (0.39) | ESR1ADORA2ASCN9AMEN1GAA | |
| SCHEMBL24854251 | 0.81 | PTGDR2 (0.33) | ESR1ADORA2AL3MBTL1PTGDR2 | |
| SCHEMBL24854569 | 0.80 | PTGDR2 (0.32) | ESR1ADORA2AMAPTL3MBTL1PTGDR2 | |
| SCHEMBL23370330 | 0.79 | ESR1 (0.33) | ESR1ADORA2AL3MBTL1 | |
| SCHEMBL29617914 | 0.78 | ESR1 (0.43) | ESR1MAPTL3MBTL1HTTPTGDR2 | |
| SCHEMBL23370327 | 0.78 | ESR1 (0.43) | ESR1MAPTL3MBTL1HTTPTGDR2 | |
| SCHEMBL23370317 | 0.76 | HASPIN (0.41) | ESR1ADORA2ASCN9AMAPTGAA | |
| SCHEMBL29907751 | 0.75 | ADORA2A (0.39) | ESR1ADORA2AMAPTGAAHTT | |
| SCHEMBL23370303 | 0.72 | ADORA2A (0.37) | ADORA2AMAPTLMNAHTT | |
| SCHEMBL29907756 | 0.70 | CNR2 (0.50) | ADORA2ALMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022092084-A1 | FUSED HETEROCYCLE DERIVATIVE AND HERBICIDE CONTAINING SAME AS ACTIVE INGREDIENT | クミアイ化学工業株式会社 | 2022-05-05 | — | — | WO | disclosed |