Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 3/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28859636 | 0.79 | LCK (0.37) | ATRLCKPTGDR2CA1CA12 | |
| SCHEMBL14784295 | 0.77 | LCK (0.43) | ATRLCKCA1CA12CA9 | |
| SCHEMBL28216106 | 0.75 | PI4KB (0.41) | ATRLCKPTGDR2CA1CA12 | |
| SCHEMBL28860053 | 0.75 | ATR (0.39) | ATRPTGDR2HDAC1CYP17A1 | |
| SCHEMBL2997409 | 0.74 | LCK (0.52) | ATRLCKCA1CA12CA9 | |
| SCHEMBL26512493 | 0.73 | ATR (0.46) | ATRLCKCA1CA12CA9 | |
| SCHEMBL2556108 | 0.73 | MTNR1A (0.42) | LCKNLRP3 | |
| SCHEMBL28379677 | 0.72 | CA1 (0.34) | ATRLCKCA1CA12CA9 | |
| SCHEMBL31514248 | 0.71 | NLRP3 (0.46) | PPARGNLRP3 | |
| SCHEMBL29057008 | 0.70 | ATR (0.42) | ATRLCKCA1CA12CA9 |
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-106132406-A | β substituted γ aminoacid and analog as chemotherapeutics | 夸德里加生物科学公司 | 2016-11-16 | — | — | CN | disclosed |