Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28113812 | 0.81 | XIAP (0.34) | TDP1ALDH1A1 | |
| SCHEMBL28113864 | 0.76 | — | — | |
| SCHEMBL5329038 | 0.68 | TDP1 (0.40) | TDP1S100A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL5328866 | 0.59 | TDP1 (0.42) | TDP1S100A4 | |
| SCHEMBL5328420 | 0.58 | TDP1 (0.41) | TDP1S100A4ALDH1A1 | |
| SCHEMBL12242131 | 0.57 | TDP1 (0.46) | TDP1S100A4TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL28929832 | 0.57 | TDP1 (0.42) | TDP1S100A4TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL1823503 | 0.56 | ALDH1A1 (0.60) | TDP1S100A4TSHRSMN1; SMN2ALDH1A1 | |
| SCHEMBL28188488 | 0.56 | DHFR (0.33) | — | |
| SCHEMBL14386783 | 0.56 | TDP1 (0.49) | TDP1S100A4ALDH1A1 |
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-106146367-B | Allyl sulfenyl amino 1,4-benzoquinone class compound, it is prepared and application | 北京大学 | 2017-12-26 | — | — | CN | claimed |
| CN-106146367-A | Allyl sulfenyl amino 1,4-benzoquinone compounds, its preparation and application | 北京大学 | 2016-11-23 | — | — | CN | claimed |