Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL11033016 | 0.87 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL878364 | 0.86 | TSHR (0.33) | ALDH1A1TP53CYP3A4 | |
| SCHEMBL4566336 | 0.82 | ALDH1A1 (0.50) | ALDH1A1 | |
| SCHEMBL12579990 | 0.79 | — | — | |
| SCHEMBL852867 | 0.78 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL28844208 | 0.69 | ALDH1A1 (0.33) | ALDH1A1TP53CYP3A4 | |
| Bicarbonate SCHEMBL29287652 | 0.68 | GRIK1 (0.34) | — | |
| SCHEMBL7637416 | 0.68 | ALDH1A1 (0.42) | ALDH1A1TP53CYP3A4 | |
| SCHEMBL3675161 | 0.68 | TSHR (0.39) | ALDH1A1 | |
| SCHEMBL9215956 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-60239483-A | — | — | None | — | — | JP | disclosed |
| JP-S60239483-A | NOVEL CARBONATE COMPOUND | DAICEL CHEM IND LTD | 1985-11-28 | — | — | JP | disclosed |