Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.45 |
| ▸ | PKN1 | Q16512 | 5/20 | 0.42 |
| ▸ | PKN2 | Q16513 | 5/20 | 0.42 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | PLK4 | O00444 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | CSNK1D | P48730 | 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 | |
|---|---|---|---|---|
| SCHEMBL1897596 | 0.79 | PARP1 (0.47) | PARP1PKN1PKN2RAD52UHRF1 | |
| SCHEMBL12662492 | 0.78 | PARP1 (0.48) | PARP1PKN1PKN2NPC1RAB9A | |
| SCHEMBL12662495 | 0.78 | PARP1 (0.53) | PARP1PKN1PKN2RAD52UHRF1 | |
| SCHEMBL1896489 | 0.77 | PKN1 (0.64) | PARP1PKN1PKN2PLK4MAPK13 | |
| SCHEMBL1889225 | 0.77 | PARP1 (0.60) | PARP1PKN1PKN2PLK4MAPK13 | |
| SCHEMBL13551074 | 0.73 | PARP1 (0.66) | PARP1PKN1PKN2RAD52UHRF1 | |
| SCHEMBL12673378 | 0.72 | PARP1 (0.62) | PARP1PKN1PKN2CLK2PTGES | |
| SCHEMBL12673105 | 0.70 | PARP1 (0.51) | PARP1PKN1PKN2RAD52UHRF1 | |
| SCHEMBL12673169 | 0.70 | CLK2 (0.57) | PARP1PKN1PKN2CLK2DYRK1A | |
| SCHEMBL12673142 | 0.69 | PARP1 (0.59) | PARP1NPC1RAB9APTGES |
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-2010003048-A1 | BENZIMIDAZOLES AND RELATED ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2010-01-07 | — | — | WO | disclosed |