Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL10571434 | 0.85 | ALDH1A1 (0.39) | ALDH1A1TDP1TRPA1 | |
| SCHEMBL2561638 | 0.82 | ALDH1A1 (0.33) | ALDH1A1TDP1TRPA1 | |
| SCHEMBL18265151 | 0.81 | TSHR (0.35) | ALDH1A1TDP1TRPA1 | |
| Acetone SCHEMBL8780130 | 0.79 | LMNA (0.40) | ALDH1A1TDP1TRPA1 | |
| Acetone SCHEMBL7722945 | 0.79 | LMNA (0.40) | ALDH1A1TDP1TRPA1 | |
| SCHEMBL8505659 | 0.70 | ALDH1A1 (0.33) | ALDH1A1TDP1 | |
| SCHEMBL14727815 | 0.70 | CYP2D6 (0.35) | ALDH1A1TDP1TRPA1 | |
| SCHEMBL2478163 | 0.69 | MGAM (0.32) | — | |
| SCHEMBL14321999 | 0.69 | — | — | |
| SCHEMBL14514092 | 0.69 | ALDH1A1 (0.35) | ALDH1A1TDP1TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5401815-A | Polymer scale preventive agent, polymerization vessel for preventing polymer scale deposition, and process of producing polymer using said vessel | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1995-03-28 | — | — | US | disclosed |