Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 4/20 | 0.49 |
| ▸ | DRD3 | P35462 | 4/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | HRH1 | P35367 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | PRCP | P42785 | 1/20 | 0.40 |
| ▸ | EBP | Q15125 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 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 | |
|---|---|---|---|---|
| SCHEMBL7043532 | 0.99 | PARP1 (0.48) | PARP1DRD3ACHECYP2D6HRH1 | |
| SCHEMBL7043782 | 0.97 | PARP1 (0.52) | PARP1DRD3ACHECYP2D6HRH1 | |
| SCHEMBL7042142 | 0.96 | PARP1 (0.52) | PARP1DRD3ACHECYP2D6HRH1 | |
| SCHEMBL7046731 | 0.94 | PARP1 (0.56) | PARP1CYP2D6HRH1PARP2DRD2 | |
| SCHEMBL7042194 | 0.93 | PARP1 (0.47) | PARP1DRD3ACHECYP2D6HRH1 | |
| SCHEMBL7045127 | 0.93 | PARP1 (0.47) | PARP1DRD3ACHECYP2D6HRH1 | |
| SCHEMBL7046897 | 0.93 | PARP1 (0.48) | PARP1DRD3ACHECYP2D6HRH1 | |
| SCHEMBL7042613 | 0.93 | PARP1 (0.56) | PARP1CYP2D6HRH1PARP2DRD2 | |
| SCHEMBL7043521 | 0.90 | PARP1 (0.45) | PARP1DRD3ACHECYP2D6HRH1 | |
| SCHEMBL7042195 | 0.90 | PARP1 (0.42) | PARP1DRD3ACHECYP2D6HRH1 |
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 3 patents. 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 |
| EP-1133477-A1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000032579-A1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-08 | — | — | WO | disclosed |