Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8554584 | 0.78 | CES1 (0.38) | — | |
| SCHEMBL8121964 | 0.78 | — | — | |
| SCHEMBL8121690 | 0.75 | EGFR (0.33) | EGFRPTGS2 | |
| SCHEMBL8128825 | 0.73 | CES1 (0.31) | — | |
| SCHEMBL8128055 | 0.72 | CYP3A4 (0.39) | KDR | |
| SCHEMBL8556761 | 0.72 | CES1 (0.38) | — | |
| SCHEMBL8129028 | 0.72 | MAPK1 (0.36) | — | |
| SCHEMBL5760370 | 0.71 | ROS1 (0.46) | — | |
| SCHEMBL8555842 | 0.71 | KMT2A (0.39) | — | |
| SCHEMBL554552 | 0.68 | MAPT (0.46) | PLK4KDR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0732942-A4 | ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS | COCENSYS INC (US) | 2000-03-22 | — | — | EP | disclosed |
| EP-0732942-A1 | ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS | ACEA PHARMACEUTICALS, INC. (US) | 1996-09-25 | — | — | EP | disclosed |
| WO-1995012417-A1 | ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS | ACEA PHARMACEUTICALS, INC. (US) | 1995-05-11 | — | — | WO | disclosed |