Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6427634 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TP53TDP1ESR2 | |
| SCHEMBL12220266 | 0.78 | ALDH1A1 (0.34) | ALDH1A1ESR2 | |
| SCHEMBL29392787 | 0.73 | TRPA1 (0.42) | ALDH1A1TP53TDP1ESR2 | |
| SCHEMBL20540071 | 0.73 | ALDH1A1 (0.41) | ALDH1A1TP53TDP1ESR2 | |
| SCHEMBL28496 | 0.73 | TRPA1 (0.42) | ALDH1A1TP53TDP1ESR2 | |
| SCHEMBL17220278 | 0.73 | TRPA1 (0.42) | ALDH1A1TP53TDP1ESR2 | |
| Ethylene SCHEMBL2135101 | 0.71 | TRPA1 (0.41) | ALDH1A1TP53TDP1ESR2 | |
| SCHEMBL5257067 | 0.71 | ALDH1A1 (0.39) | ALDH1A1TP53TDP1ESR2 | |
| SCHEMBL16958440 | 0.71 | ALDH1A1 (0.35) | ALDH1A1TP53TDP1ESR2 | |
| SCHEMBL18411957 | 0.71 | ALDH1A1 (0.32) | ALDH1A1TP53TDP1ESR2 |
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-2024141757-A1 | LSD1 MODULATORS | EXSCIENTIA AI LIMITED (GB) | 2024-07-04 | — | — | WO | disclosed |