Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 13/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.36 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.35 |
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7845185 | 1.00 | KCNH2 (0.44) | KCNH2EGFRERBB2HPGDHTT | |
| SCHEMBL7582177 | 0.84 | EGFR (0.62) | EGFRERBB2HPGDHTTERBB4 | |
| SCHEMBL7582182 | 0.84 | EGFR (0.62) | EGFRERBB2HPGDHTTERBB4 | |
| SCHEMBL7695196 | 0.81 | KCNH2 (0.44) | KCNH2EGFRERBB2HPGDHTT | |
| SCHEMBL7695198 | 0.81 | KCNH2 (0.44) | KCNH2EGFRERBB2HPGDHTT | |
| SCHEMBL7856714 | 0.75 | KCNH2 (0.47) | KCNH2EGFRERBB2HPGDHTT | |
| SCHEMBL7856361 | 0.74 | MAPT (0.41) | EGFRERBB2ERBB4 | |
| SCHEMBL7856445 | 0.74 | KCNH2 (0.52) | KCNH2EGFRERBB2HPGDHTT | |
| SCHEMBL6904228 | 0.73 | EGFR (0.61) | KCNH2EGFRERBB2HPGDHTT | |
| SCHEMBL7852723 | 0.72 | EGFR (0.47) | KCNH2EGFRERBB2HPGDHTT |
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-1163242-A2 | BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM | Boehringer Ingelheim Pharma KG (DE) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000055162-A2 | BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-09-21 | — | — | WO | disclosed |