Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 5/20 | 0.42 |
| ▸ | EGFR | P00533 | 4/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.38 |
| ▸ | JUN | P05412 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL31144931 | 0.79 | IKBKB (0.37) | IKBKB | |
| SCHEMBL5612710 | 0.76 | MAPT (0.59) | MAPTFYNRXFP1 | |
| SCHEMBL5773763 | 0.75 | MAPT (0.67) | NR2E1MAPTKIF11GPR35 | |
| SCHEMBL22276768 | 0.75 | SMN1; SMN2 (0.56) | MAPTRXFP1 | |
| SCHEMBL23328069 | 0.70 | MAPT (0.59) | NR2E1MAPTKIF11GPR35 | |
| SCHEMBL30977688 | 0.70 | MAPT (0.54) | NR2E1MAPTKIF11GPR35 | |
| SCHEMBL13483424 | 0.70 | MAPT (0.59) | NR2E1MAPTKIF11GPR35 | |
| SCHEMBL12144643 | 0.70 | MAPT (0.54) | NR2E1MAPTKIF11GPR35 | |
| SCHEMBL31729816 | 0.69 | PSEN1 (0.68) | NR2E1KDREGFRFGFR1 | |
| SCHEMBL17491415 | 0.69 | BRAF (0.47) | NR2E1KDREGFRFGFR1MAPT |
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-103896865-B | 1,4-pentadiene-3-ketone compounds containing triazole amide and preparation method and application thereof | 兴义民族师范学院 | 2017-03-22 | — | — | CN | disclosed |