Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.61 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.52 |
| ▸ | AURKA | O14965 | 2/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.41 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5620348 | 0.96 | PARP1 (0.57) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL5621675 | 0.91 | PARP1 (0.59) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL5622174 | 0.91 | PARP1 (0.59) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL7700441 | 0.90 | PARP1 (0.58) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL5621443 | 0.90 | PARP1 (0.71) | PARP1PARP2AURKAAURKBPOLB | |
| SCHEMBL5620118 | 0.89 | PARP1 (0.57) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL5621613 | 0.89 | PARP1 (0.56) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL7700394 | 0.89 | PARP1 (0.56) | PARP1PARP2AURKAAURKBALDH1A1 | |
| SCHEMBL5620452 | 0.89 | PARP1 (0.56) | PARP1PARP2AURKAAURKBPKN1 | |
| SCHEMBL5621426 | 0.88 | 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 |