Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 11/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29079146 | 0.91 | AAK1 (0.43) | AAK1PDK1ALDH1A1MAPT | |
| SCHEMBL29079141 | 0.83 | AAK1 (0.47) | AAK1ALDH1A1MAPT | |
| SCHEMBL29079144 | 0.82 | AAK1 (0.43) | AAK1GSTP1GSTM2ALDH1A1GAA | |
| SCHEMBL8904841 | 0.78 | ALDH1A1 (0.40) | AAK1PDK1ALDH1A1GAAMAPT | |
| SCHEMBL27391920 | 0.78 | ALDH1A1 (0.40) | AAK1PDK1ALDH1A1GAAMAPT | |
| SCHEMBL8904838 | 0.78 | ALDH1A1 (0.40) | AAK1PDK1ALDH1A1GAAMAPT | |
| SCHEMBL1561567 | 0.78 | ALDH1A1 (0.40) | AAK1PDK1ALDH1A1GAAMAPT | |
| SCHEMBL16851396 | 0.78 | PDK1 (0.46) | PDK1ALDH1A1ABCB1ABCC1MAPT | |
| SCHEMBL531814 | 0.78 | PDK1 (0.46) | PDK1ALDH1A1ABCB1ABCC1MAPT | |
| SCHEMBL1561729 | 0.77 | MAPT (0.53) | ALDH1A1MAPT |
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-116640156-A | RIPK1 inhibitors | 上海齐鲁制药研究中心有限公司 | 2023-08-25 | — | — | CN | disclosed |