Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.76 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.48 |
| ▸ | DRD4 | P21917 | 4/20 | 0.42 |
| ▸ | DRD3 | P35462 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | PRCP | P42785 | 1/20 | 0.39 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5620206 | 0.96 | PARP1 (0.70) | PARP1PARP2DRD4DRD3CYP3A4 | |
| SCHEMBL7042531 | 0.86 | PARP1 (0.56) | PARP1DRD4DRD3CYP3A4L3MBTL1 | |
| SCHEMBL5621817 | 0.85 | PARP1 (0.54) | PARP1PARP2DRD4CYP3A4ABCC1 | |
| SCHEMBL5622218 | 0.84 | PARP1 (0.76) | PARP1PARP2DRD4DRD2PARP3 | |
| SCHEMBL5620204 | 0.84 | PARP1 (0.90) | PARP1PARP2DRD3DRD2 | |
| SCHEMBL5620889 | 0.83 | PARP1 (0.71) | PARP1PARP2DRD2ALDH1A1PARP3 | |
| SCHEMBL7038527 | 0.82 | PARP1 (0.52) | PARP1DRD4DRD3L3MBTL1NPY1R | |
| SCHEMBL5619701 | 0.82 | PARP1 (0.51) | PARP1PARP2DRD4CYP3A4ABCC1 | |
| SCHEMBL5621966 | 0.81 | PARP1 (0.77) | PARP1PARP2 | |
| SCHEMBL5621671 | 0.79 | PARP1 (0.71) | PARP1PARP2 |
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 |