Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSPO | P30536 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 5/20 | 0.51 |
| ▸ | PPARG | P37231 | 4/20 | 0.49 |
| ▸ | PPARA | Q07869 | 3/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.48 |
| ▸ | PPARD | Q03181 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8724365 | 1.00 | TSPO (0.52) | TSPOMAOBPPARGPPARAALOX5 | |
| SCHEMBL8721687 | 0.88 | BACE1 (0.45) | TSPO | |
| SCHEMBL8722642 | 0.88 | BACE1 (0.45) | TSPO | |
| SCHEMBL8724804 | 0.85 | LDHA (0.51) | TSPOPPARGPPARA | |
| SCHEMBL8724800 | 0.85 | LDHA (0.51) | TSPOPPARGPPARA | |
| SCHEMBL7451075 | 0.83 | ALDH1A1 (0.50) | PPARGPPARA | |
| SCHEMBL7451078 | 0.83 | ALDH1A1 (0.50) | PPARGPPARA | |
| SCHEMBL16907004 | 0.83 | ALDH1A1 (0.50) | PPARGPPARA | |
| SCHEMBL8726261 | 0.83 | SLC7A5 (0.45) | — | |
| SCHEMBL8726257 | 0.83 | SLC7A5 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5780498-A | PEPTIDE DERIVATIVES FOR CARDIOVASCULAR AND BRAIN DISORDERS | CIBA-GEIGY JAPAN LIMITED (JP) | 1998-07-14 | — | — | US | disclosed |
| EP-0728145-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | Ciba-Geigy Japan Limited (JP) | 1996-08-28 | — | — | EP | disclosed |
| WO-1995012611-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | JAPAT LTD. (CH) | 1995-05-11 | — | — | WO | disclosed |