Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JUN | P05412 | 4/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.37 |
| ▸ | RELA | Q04206 | 4/20 | 0.37 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | GALR3 | O60755 | 1/20 | 0.31 |
| ▸ | HCAR1 | Q9BXC0 | 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 | |
|---|---|---|---|---|
| SCHEMBL8555061 | 0.83 | JUN (0.34) | JUNNFKB1NFKB2RELAACE2 | |
| SCHEMBL3032750 | 0.83 | JUN (0.39) | JUNNFKB1NFKB2RELAACE2 | |
| SCHEMBL8555364 | 0.83 | HCAR1 (0.32) | HCAR1 | |
| SCHEMBL7347442 | 0.83 | CES1 (0.38) | JUNNFKB1NFKB2RELAHCAR1 | |
| SCHEMBL8127651 | 0.83 | HTR2A (0.31) | — | |
| SCHEMBL8120881 | 0.78 | ALDH1A1 (0.39) | NFKB1GALR3 | |
| SCHEMBL8120381 | 0.77 | — | — | |
| SCHEMBL8121722 | 0.75 | — | — | |
| SCHEMBL8127246 | 0.75 | — | — | |
| SCHEMBL8122905 | 0.74 | JUN (0.33) | JUNNFKB1NFKB2RELA |
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 |