Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 3/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.36 |
| ▸ | HRH1 | P35367 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7040201 | 0.93 | PARP1 (0.54) | PARP1HSD11B1PARP2HTR2BCHRM1 | |
| SCHEMBL7038340 | 0.88 | PARP1 (0.48) | PARP1HSD11B1HTR2BPROKR1 | |
| SCHEMBL7040495 | 0.87 | PARP1 (0.65) | PARP1PARP2 | |
| SCHEMBL7043780 | 0.87 | PARP1 (0.47) | PARP1HSD11B1PARP2HTR2BKCNH2 | |
| SCHEMBL7044945 | 0.85 | PARP1 (0.45) | PARP1HSD11B1HTR2BPROKR1 | |
| SCHEMBL7045615 | 0.85 | PARP1 (0.51) | PARP1PARP2HTR2BKCNH2CYP2D6 | |
| SCHEMBL7041082 | 0.85 | PARP1 (0.52) | PARP1HTR2BHTR6 | |
| SCHEMBL7042003 | 0.83 | PARP1 (0.48) | PARP1PARP2HTR2B | |
| SCHEMBL5621671 | 0.83 | PARP1 (0.71) | PARP1PARP2 | |
| SCHEMBL7038527 | 0.82 | PARP1 (0.52) | PARP1HRH1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1133477-B1 | SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS | ABBOTT GMBH & CO KG (DE) | 2004-02-18 | — | — | EP | disclosed |