Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 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 | |
|---|---|---|---|---|
| SCHEMBL537504 | 0.80 | TDP1 (0.43) | TDP1 | |
| SCHEMBL11693375 | 0.79 | SLC1A3 (0.31) | — | |
| SCHEMBL11628782 | 0.76 | MCL1 (0.39) | — | |
| SCHEMBL3249360 | 0.76 | ALDH1A1 (0.36) | ALDH1A1TDP1 | |
| SCHEMBL9494995 | 0.75 | — | — | |
| SCHEMBL70684 | 0.75 | — | — | |
| SCHEMBL9497220 | 0.75 | — | — | |
| SCHEMBL3627883 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TDP1 | |
| SCHEMBL8355327 | 0.74 | ALDH1A1 (0.39) | ALDH1A1TDP1 | |
| Propene SCHEMBL4543717 | 0.74 | TDP1 (0.34) | TDP1GRIK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106867522-B | The new application of cyanoacetic acid | 武汉大学 | 2018-12-14 | — | — | CN | disclosed |
| CN-106867522-A | The new application of cyanoacetic acid | 武汉大学 | 2017-06-20 | — | — | CN | disclosed |