Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 11/20 | 0.54 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.47 |
| ▸ | AURKA | O14965 | 2/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TERT | O14746 | 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 | |
|---|---|---|---|---|
| SCHEMBL5622228 | 0.97 | PARP1 (0.51) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL7708432 | 0.89 | PARP1 (0.45) | PARP1PARP2THRBTERT | |
| SCHEMBL7041918 | 0.87 | PARP1 (0.40) | PARP1PARP2ALDH1A1NPSR1THRB | |
| SCHEMBL7700441 | 0.87 | PARP1 (0.58) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL5619904 | 0.87 | PARP1 (0.67) | PARP1PARP2THRBTERT | |
| SCHEMBL7706399 | 0.86 | PARP1 (0.43) | PARP1PARP2THRB | |
| SCHEMBL5620118 | 0.86 | PARP1 (0.57) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL7700394 | 0.85 | PARP1 (0.56) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL7046250 | 0.85 | PARP1 (0.38) | PARP1PARP2ALDH1A1NPSR1THRB | |
| SCHEMBL5621052 | 0.85 | PARP1 (0.55) | PARP1PARP2AURKAAURKBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6448271-B1 | SUCH AS 2-(PIPERIDIN-4-YL)BENZIMIDAZOLE-4-CARBOXAMIDE; INHIBITORS OF ENZYME POLY(ADP-RIBOSE)POLYMERASE; IMPROVED WATER SOLUBILITY | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-10 | — | — | US | disclosed |