Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL7044212 | 0.96 | PARP1 (0.41) | ALDH1A1NPSR1PARP1LMNA | |
| SCHEMBL7043857 | 0.92 | ALDH1A1 (0.43) | ALDH1A1NPSR1PARP1LMNA | |
| SCHEMBL7047366 | 0.91 | NPSR1 (0.40) | ALDH1A1NPSR1PARP1LMNA | |
| SCHEMBL7040070 | 0.91 | NPSR1 (0.40) | ALDH1A1NPSR1PARP1LMNA | |
| SCHEMBL7041749 | 0.91 | ALDH1A1 (0.44) | ALDH1A1NPSR1PARP1LMNA | |
| SCHEMBL7043633 | 0.91 | PARP1 (0.41) | ALDH1A1NPSR1PARP1LMNA | |
| SCHEMBL7043577 | 0.90 | ALDH1A1 (0.44) | ALDH1A1NPSR1PARP1LMNA | |
| SCHEMBL7043438 | 0.89 | ALDH1A1 (0.46) | ALDH1A1NPSR1PARP1LMNA | |
| SCHEMBL7044296 | 0.89 | NPSR1 (0.38) | ALDH1A1NPSR1PARP1LMNA | |
| SCHEMBL7038533 | 0.88 | PARP1 (0.47) | ALDH1A1NPSR1PARP1 |
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-1133477-B1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2004-02-18 | — | — | EP | disclosed |