Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 15/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 14/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | ULK1 | O75385 | 1/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.36 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | STK3 | Q13188 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1124802 | 0.81 | PARP1 (0.45) | PARP1NR1H2NR1H3NCF1ULK1 | |
| SCHEMBL437574 | 0.81 | PARP1 (0.45) | PARP1NR1H2NR1H3NCF1DYRK3 | |
| SCHEMBL442133 | 0.79 | BACE1 (0.41) | GSK3BCDK5DYRK1AAXL | |
| SCHEMBL441701 | 0.78 | ALDH1A1 (0.43) | PARP1 | |
| SCHEMBL435823 | 0.78 | PARP1 (0.41) | PARP1 | |
| SCHEMBL437620 | 0.77 | ALOX5AP (0.38) | — | |
| SCHEMBL35203 | 0.75 | NR1H2 (0.48) | PARP1NR1H2NR1H3 | |
| SCHEMBL441951 | 0.75 | HAVCR2 (0.58) | PARP1PRKD3MAP4K4CLK2GSK3A | |
| SCHEMBL29862680 | 0.75 | NCF1 (0.51) | PARP1NR1H2NR1H3NCF1DYRK3 | |
| SCHEMBL485347 | 0.75 | NCF1 (0.51) | PARP1NR1H2NR1H3NCF1DYRK3 |
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 |
|---|---|---|---|---|---|---|---|
| US-20120065166-A1 | Bone Modulators And Methods Therewith | ESPINA VIRGINIA (US) | 2012-03-15 | — | — | US | disclosed |