Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY1R | P25929 | 3/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | SCN4A | P35499 | 2/20 | 0.45 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 4/20 | 0.43 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 3/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7472961 | 0.94 | NPY1R (0.51) | NPY1RPARP1PDE10ADRD4DRD2 | |
| SCHEMBL5620889 | 0.83 | PARP1 (0.71) | PARP1DRD2HTR6 | |
| SCHEMBL7041082 | 0.80 | PARP1 (0.52) | PARP1SCN4ADRD4DRD2HTR6 | |
| SCHEMBL11923730 | 0.78 | PDE10A (0.53) | PARP1PDE10ACYP3A4 | |
| SCHEMBL5622218 | 0.77 | PARP1 (0.76) | PARP1DRD4DRD2HTR6 | |
| SCHEMBL13777216 | 0.75 | GRM2 (0.70) | NPY1RDRD4DRD2DRD3GRM2 | |
| SCHEMBL7467348 | 0.75 | PARP1 (0.47) | PARP1PDE10A | |
| SCHEMBL7043510 | 0.75 | PARP1 (0.55) | PARP1DRD4DRD2GRM2HTR6 | |
| SCHEMBL20284464 | 0.73 | CYP2D6 (0.47) | GRM2CYP3A4 | |
| SCHEMBL21348799 | 0.72 | PDE10A (0.48) | PARP1PDE10A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |