Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4844424 | 0.89 | PARP1 (0.46) | CHEK2PARP1GPR119ALDH1A1NR1H2 | |
| SCHEMBL4844436 | 0.89 | PARP1 (0.46) | CHEK2PARP1GPR119ALDH1A1NR1H2 | |
| SCHEMBL31218714 | 0.85 | KDM4E (0.45) | CHEK2PARP1GPR119ALDH1A1KDM4E | |
| SCHEMBL6726132 | 0.83 | GPR119 (0.46) | CHEK2PARP1GPR119ALDH1A1KDM4E | |
| SCHEMBL31634907 | 0.81 | ALDH1A1 (0.52) | CHEK2PARP1GPR119ALDH1A1KDM4E | |
| SCHEMBL31476896 | 0.80 | PARP1 (0.39) | CHEK2PARP1GPR119ALDH1A1KDM4E | |
| SCHEMBL4710881 | 0.78 | PARP1 (0.48) | PARP1SLC6A2SLC6A4SLC6A3NR1H2 | |
| SCHEMBL13705543 | 0.77 | PARP1 (0.53) | PARP1GPR119NR1H2 | |
| SCHEMBL8391745 | 0.77 | PARP1 (0.50) | PARP1ALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8391746 | 0.77 | PARP1 (0.50) | PARP1ALDH1A1SLC6A2SLC6A4SLC6A3 |
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-2008139941-A1 | SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-20 | — | — | WO | disclosed |