Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 13/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.52 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.52 |
| ▸ | PARP2 | Q9UGN5 | 4/20 | 0.51 |
| ▸ | PARP3 | Q9Y6F1 | 4/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5620566 | 0.96 | PARP1 (0.49) | PARP1AURKAKDRAURKBPARP2 | |
| SCHEMBL5621443 | 0.85 | PARP1 (0.71) | PARP1AURKAAURKBPARP2PARP3 | |
| SCHEMBL5622218 | 0.84 | PARP1 (0.76) | PARP1PARP2PARP3DRD2HTR6 | |
| SCHEMBL7041477 | 0.84 | DRD2 (0.44) | HIF1ADRD2ALDH1A1 | |
| SCHEMBL5621499 | 0.83 | PARP1 (0.55) | PARP1PARP2PARP3 | |
| SCHEMBL5621817 | 0.83 | PARP1 (0.54) | PARP1PARP2PARP3DRD2 | |
| SCHEMBL5621478 | 0.81 | PARP1 (0.66) | PARP1AURKAAURKBPARP2 | |
| SCHEMBL5620889 | 0.81 | PARP1 (0.71) | PARP1PARP2PARP3DRD2HTR6 | |
| SCHEMBL7040971 | 0.81 | HTR7 (0.42) | HIF1ADRD2ALDH1A1 | |
| SCHEMBL5621361 | 0.80 | PARP1 (0.52) | PARP1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE39608-E1 | Substituted benzimidazoles and their use as PARP inhibitors | ABBOTT GMBH & CO. KG (DE) | 2007-05-01 | — | — | US | disclosed |
| 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 |