Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11666449 | 0.68 | ALDH1A1 (0.32) | MEN1CYP3A4KMT2A | |
| SCHEMBL28880080 | 0.68 | CA12 (0.34) | MEN1CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL4784115 | 0.66 | PTPRC (0.50) | MEN1CYP3A4KMT2A | |
| SCHEMBL7695989 | 0.65 | — | — | |
| SCHEMBL2531942 | 0.62 | MAOA (0.58) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL28880084 | 0.62 | HPGD (0.35) | CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL30587670 | 0.62 | MAOA (0.58) | MEN1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL10883313 | 0.60 | KMT2A (0.49) | MEN1CYP1A2CYP3A4CYP2D6KMT2A | |
| SCHEMBL3785939 | 0.60 | ALDH1A1 (0.34) | MEN1KMT2A | |
| SCHEMBL20567610 | 0.60 | ALDH1A1 (0.37) | MEN1KMT2A |
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 |