Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22601410 | 0.65 | ALDH1A1 (0.38) | PARP1ALDH1A1LMNA | |
| SCHEMBL22108809 | 0.65 | ALDH1A1 (0.55) | PARP1ALDH1A1LMNA | |
| SCHEMBL22601496 | 0.63 | ALDH1A1 (0.36) | PARP1ALDH1A1LMNA | |
| SCHEMBL24500467 | 0.62 | ALDH1A1 (0.35) | PARP1ALDH1A1LMNA | |
| SCHEMBL2346678 | 0.60 | GSK3B (0.67) | ALDH1A1 | |
| SCHEMBL27736500 | 0.60 | ADORA2A (0.49) | ALDH1A1LMNA | |
| SCHEMBL27674449 | 0.60 | EGLN1 (0.34) | PARP1ALDH1A1LMNA | |
| SCHEMBL162853 | 0.60 | — | — | |
| SCHEMBL11882632 | 0.59 | KMT2A (0.57) | ALDH1A1LMNA | |
| SCHEMBL24500531 | 0.58 | PARP1 (0.31) | PARP1 |
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-2009138122-A1 | PURINE DERIVATIVES FURTHER COMPRISING A MERCAPTO-ACYLAMINO GROUP AS NEUTRAL ENDOPEPTIDASE INHIBITORS | NOVARTIS AG (CH) | 2009-11-19 | — | — | WO | disclosed |