Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 3/20 | 0.40 |
| ▸ | TBK1 | Q9UHD2 | 4/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | CEL | P19835 | 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 | |
|---|---|---|---|---|
| SCHEMBL15399734 | 0.84 | SLC6A2 (0.39) | DAOTBK1 | |
| SCHEMBL15399768 | 0.83 | DAO (0.39) | DAOTBK1NFE2L2POLBGAA | |
| SCHEMBL10586080 | 0.82 | CEL (0.43) | DAOTBK1NFE2L2POLBGAA | |
| SCHEMBL14464327 | 0.79 | NFE2L2 (0.53) | DAONFE2L2POLBGAA | |
| SCHEMBL4351158 | 0.77 | MAOA (0.40) | TBK1POLBGAABCHECEL | |
| SCHEMBL15400565 | 0.76 | SLC6A2 (0.41) | TBK1BACE1 | |
| SCHEMBL15435208 | 0.75 | MOGAT2 (0.39) | BCHE | |
| SCHEMBL2777255 | 0.75 | TDP1 (0.48) | POLBGAA | |
| SCHEMBL2652238 | 0.74 | PNMT (0.50) | — | |
| SCHEMBL9763012 | 0.73 | BACE1 (0.47) | DAONFE2L2NUDT1BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017031050-A1 | MOLECULARLY TUNABLE HETEROGENEOUS CATALYSTS BY EDGE FUNCTIONALIZATION OF GRAPHITIC CARBONS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2017-02-23 | — | — | WO | disclosed |