Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 8/20 | 0.44 |
| ▸ | MAPKAPK2 | P49137 | 4/20 | 0.42 |
| ▸ | ERBB3 | P21860 | 3/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.41 |
| ▸ | CDK2 | P24941 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 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 | |
|---|---|---|---|---|
| SCHEMBL7701772 | 0.92 | KCNH2 (0.49) | KCNH2EGFRMAPKAPK2S1PR1CDK2 | |
| SCHEMBL7856081 | 0.92 | KCNH2 (0.49) | KCNH2EGFRMAPKAPK2ERBB3S1PR1 | |
| SCHEMBL7856082 | 0.92 | KCNH2 (0.49) | KCNH2EGFRMAPKAPK2ERBB3S1PR1 | |
| SCHEMBL7701769 | 0.92 | KCNH2 (0.49) | KCNH2EGFRMAPKAPK2S1PR1CDK2 | |
| SCHEMBL7847737 | 0.89 | KCNH2 (0.47) | KCNH2EGFRMAPKAPK2ERBB3CDK2 | |
| SCHEMBL7847738 | 0.89 | KCNH2 (0.47) | KCNH2EGFRMAPKAPK2ERBB3CDK2 | |
| SCHEMBL7856210 | 0.86 | KCNH2 (0.47) | KCNH2EGFRMAPKAPK2ERBB3CDK2 | |
| SCHEMBL7856209 | 0.86 | KCNH2 (0.47) | KCNH2EGFRMAPKAPK2ERBB3CDK2 | |
| SCHEMBL27623053 | 0.85 | KCNH2 (0.52) | KCNH2EGFRMAPKAPK2CDK2ROCK2 | |
| SCHEMBL7857095 | 0.84 | KCNH2 (0.45) | KCNH2EGFRMAPKAPK2MEN1KMT2A |
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 |