Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 11/20 | 0.46 |
| ▸ | ERBB3 | P21860 | 5/20 | 0.46 |
| ▸ | MAPKAPK2 | P49137 | 5/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 3/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7847737 | 1.00 | KCNH2 (0.47) | KCNH2EGFRERBB3MAPKAPK2HDAC3 | |
| SCHEMBL7856082 | 0.96 | KCNH2 (0.49) | KCNH2EGFRERBB3MAPKAPK2CDK2 | |
| SCHEMBL7857095 | 0.92 | KCNH2 (0.45) | KCNH2EGFRMAPKAPK2HDAC3HDAC1 | |
| SCHEMBL7857099 | 0.92 | KCNH2 (0.45) | KCNH2EGFRMAPKAPK2HDAC3HDAC1 | |
| SCHEMBL7858348 | 0.89 | KCNH2 (0.49) | KCNH2EGFRERBB3MAPKAPK2CDK2 | |
| SCHEMBL7856210 | 0.88 | KCNH2 (0.47) | KCNH2EGFRERBB3MAPKAPK2HDAC3 | |
| SCHEMBL7856209 | 0.88 | KCNH2 (0.47) | KCNH2EGFRERBB3MAPKAPK2HDAC3 | |
| SCHEMBL7701769 | 0.85 | KCNH2 (0.49) | KCNH2EGFRMAPKAPK2ERBB2CDK2 | |
| SCHEMBL8804523 | 0.83 | EGFR (0.48) | KCNH2EGFRERBB3MAPKAPK2CDK2 | |
| SCHEMBL8804525 | 0.83 | EGFR (0.48) | KCNH2EGFRERBB3MAPKAPK2CDK2 |
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 |