Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 2/20 | 0.32 |
| ▸ | PGK2 | P07205 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL34924 | 0.92 | ESR1 (0.36) | PGK1PGK2ESR1ESR2GAA | |
| Carbimide SCHEMBL4253887 | 0.87 | ESR1 (0.33) | ESR1ESR2GAAHDAC4HDAC2 | |
| SCHEMBL2494913 | 0.87 | ESR1 (0.33) | ESR1ESR2GAAHDAC4HDAC2 | |
| SCHEMBL12050426 | 0.87 | ESR1 (0.33) | ESR1ESR2GAAHDAC4HDAC2 | |
| SCHEMBL39076 | 0.87 | HDAC8 (0.43) | ESR1ESR2GAAHDAC4HDAC2 | |
| SCHEMBL13241243 | 0.86 | PGK1 (0.40) | PGK1PGK2ESR1ESR2GAA | |
| SCHEMBL11535151 | 0.84 | CES2 (0.42) | GAA | |
| SCHEMBL18126139 | 0.84 | ESR1 (0.32) | ESR1ESR2GAAHDAC4HDAC2 | |
| SCHEMBL14473846 | 0.84 | ESR1 (0.32) | ESR1ESR2GAAHDAC4HDAC2 | |
| SCHEMBL13703565 | 0.84 | ESR1 (0.32) | ESR1ESR2GAAHDAC4HDAC2 |
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-2023274492-A1 | CATALYTIC SYNTHESIS OF FREE ISOCYANATES | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2023-01-05 | — | — | WO | disclosed |