Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 3/20 | 0.38 |
| ▸ | DHODH | Q02127 | 3/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.38 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL12662088 | 1.00 | PARP1 (0.42) | PARP1PTGESDHODHBRAFKCNK3 | |
| SCHEMBL12662463 | 0.94 | PARP1 (0.42) | PARP1PTGESDHODHBRAFKCNK3 | |
| SCHEMBL17787698 | 0.94 | PARP1 (0.42) | PARP1PTGESDHODHBRAFKCNK3 | |
| SCHEMBL12662104 | 0.94 | PARP1 (0.42) | PARP1PTGESDHODHTP53MAPT | |
| SCHEMBL1895828 | 0.92 | PARP1 (0.52) | PARP1PTGESDHODHKCNK3KCNK9 | |
| SCHEMBL1895829 | 0.92 | PARP1 (0.52) | PARP1PTGESDHODHKCNK3KCNK9 | |
| SCHEMBL12662602 | 0.91 | PARP1 (0.41) | PARP1DHODHCLK2TP53MAPT | |
| SCHEMBL12662087 | 0.88 | P2RX1 (0.42) | PARP1PTGESBRAFKCNK3KCNK9 | |
| SCHEMBL17787712 | 0.88 | P2RX1 (0.42) | PARP1PTGESBRAFKCNK3KCNK9 | |
| SCHEMBL13551088 | 0.88 | DHODH (0.39) | DHODHCLK2TP53MAPTKDM4E |
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-2315763-B1 | BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2016-06-01 | — | — | EP | disclosed |