Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 18/20 | 0.63 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | PAK4 | O96013 | 1/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL7108819 | 0.96 | PARP1 (0.56) | PARP1PARP2KCNH2CHEK1AURKA | |
| SCHEMBL6872713 | 0.90 | PARP1 (0.64) | PARP1PARP2CHEK1AURKAPRKD3 | |
| SCHEMBL6869294 | 0.89 | PARP1 (0.63) | PARP1PARP2CHEK1AURKAPRKD3 | |
| SCHEMBL6869195 | 0.89 | PARP1 (0.63) | PARP1PARP2CHEK1AURKAPRKD3 | |
| SCHEMBL5621720 | 0.88 | PARP1 (0.81) | PARP1PARP2 | |
| SCHEMBL6869898 | 0.87 | PARP1 (0.61) | PARP1PARP2KCNH2CHEK1AURKA | |
| SCHEMBL6874424 | 0.86 | PARP1 (0.60) | PARP1PARP2KCNH2 | |
| SCHEMBL6873552 | 0.86 | PARP1 (0.60) | PARP1PARP2CHEK1AURKAPRKD3 | |
| SCHEMBL6870106 | 0.86 | PARP1 (0.59) | PARP1PARP2KCNH2 | |
| SCHEMBL6870302 | 0.86 | PARP1 (0.64) | PARP1PARP2CHEK1AURKAPRKD3 |
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 |