Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.44 |
| ▸ | EGFR | P00533 | 11/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7691002 | 0.89 | ERBB2 (0.48) | HPGDERBB2EGFRKCNH2ERBB4 | |
| SCHEMBL7853572 | 0.85 | ERBB2 (0.44) | HPGDERBB2EGFRS1PR1KCNH2 | |
| SCHEMBL7855912 | 0.85 | ERBB2 (0.45) | HPGDERBB2EGFRKCNH2ERBB4 | |
| SCHEMBL7853506 | 0.82 | EGFR (0.46) | HPGDERBB2EGFRKCNH2JAK3 | |
| SCHEMBL7574984 | 0.81 | EGFR (0.66) | HPGDERBB2EGFRJAK3ERBB4 | |
| SCHEMBL7852723 | 0.81 | EGFR (0.47) | HPGDERBB2EGFRKCNH2ERBB4 | |
| SCHEMBL7853909 | 0.80 | EGFR (0.45) | HPGDERBB2EGFRKCNH2ERBB4 | |
| SCHEMBL7852464 | 0.78 | NOS1 (0.47) | HPGDERBB2EGFRKCNH2HTT | |
| SCHEMBL7851398 | 0.78 | EGFR (0.50) | ERBB2EGFRHTT | |
| SCHEMBL7850948 | 0.77 | EGFR (0.47) | ERBB2EGFRJAK3HTT |
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 |