Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| 3-Methyl-(E)-2-Butenal SCHEMBL16862200 | 0.78 | ALDH1A1 (0.43) | ALDH1A1 | |
| 3-Methyl-(E)-2-Butenal SCHEMBL250376 | 0.78 | — | — | |
| SCHEMBL5843517 | 0.76 | — | — | |
| SCHEMBL5843527 | 0.76 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL6364571 | 0.74 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28327622 | 0.74 | — | — | |
| 3-Methyl-(E)-2-Butenal SCHEMBL28076322 | 0.74 | — | — | |
| Trichloroacetic Acid SCHEMBL2472230 | 0.74 | TSHR (0.77) | ALDH1A1TP53TSHR | |
| Trichloroacetic Acid SCHEMBL3952041 | 0.74 | TSHR (0.77) | ALDH1A1TP53TSHR | |
| 3-Methyl-(E)-2-Butenal SCHEMBL27957860 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105008344-B | Bruton's tyrosine kinase inhibitor | 辉瑞公司 | 2017-07-25 | — | — | CN | disclosed |