Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PPOX | P50336 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 4/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.34 |
| ▸ | WEE1 | P30291 | 3/20 | 0.34 |
| ▸ | CDK4 | P11802 | 4/20 | 0.33 |
| ▸ | CCND1 | P24385 | 4/20 | 0.33 |
| ▸ | CDK2 | P24941 | 4/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.33 |
| ▸ | ALDH3A1 | P30838 | 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 | |
|---|---|---|---|---|
| SCHEMBL19135976 | 0.92 | NPSR1 (0.46) | GSK3BNPSR1PPOXPARP1MAOA | |
| SCHEMBL13606492 | 0.84 | GSK3B (0.38) | GSK3BNPSR1PPOXCHEK1WEE1 | |
| SCHEMBL20212109 | 0.83 | GSK3B (0.40) | GSK3BNPSR1PPOXCHEK1WEE1 | |
| SCHEMBL13606486 | 0.79 | GSK3B (0.37) | GSK3BNPSR1CHEK1WEE1 | |
| SCHEMBL20718128 | 0.78 | BCL2 (0.40) | GSK3BNPSR1PPOXPARP1MAOA | |
| SCHEMBL10029726 | 0.78 | PPOX (0.46) | GSK3BNPSR1PPOXMAOAMAOB | |
| SCHEMBL25262632 | 0.76 | PPOX (0.52) | GSK3BNPSR1PPOXMAOAMAOB | |
| SCHEMBL11419704 | 0.76 | CA1 (0.50) | GSK3BNPSR1PPOXMAOAMAOB | |
| SCHEMBL3683890 | 0.76 | GSK3B (0.50) | GSK3BNPSR1PPOXPARP1MAOA | |
| SCHEMBL13578767 | 0.73 | PPOX (0.48) | GSK3BNPSR1PPOXPARP1MAOA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2240529-B1 | NAPHTHALENE-IMIDE SEMICONDUCTOR POLYMERS | BASF SE (DE) | 2017-07-19 | — | — | EP | disclosed |