Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.30 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.30 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.30 |
| ▸ | KIF11 | P52732 | 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 | |
|---|---|---|---|---|
| SCHEMBL1604917 | 0.74 | ALDH1A1 (0.39) | ALDH1A1MAPTPTGS1SLC7A5 | |
| SCHEMBL7917712 | 0.74 | ALDH1A1 (0.36) | ALDH1A1MAPTPTGS1SLC7A5 | |
| SCHEMBL7919870 | 0.74 | ALDH1A1 (0.36) | ALDH1A1MAPTPTGS1SLC7A5 | |
| SCHEMBL8966152 | 0.73 | SLC7A5 (0.48) | ALDH1A1MAPTPTGS1SLC7A5SLC1A3 | |
| SCHEMBL318356 | 0.73 | SLC7A5 (0.48) | ALDH1A1MAPTPTGS1SLC7A5SLC1A3 | |
| SCHEMBL6974551 | 0.73 | SLC7A5 (0.48) | ALDH1A1MAPTPTGS1SLC7A5SLC1A3 | |
| SCHEMBL3891579 | 0.73 | SLC7A5 (0.55) | ALDH1A1MAPTPTGS1SLC7A5SLC1A3 | |
| SCHEMBL4441664 | 0.73 | SLC7A5 (0.55) | ALDH1A1MAPTPTGS1SLC7A5SLC1A3 | |
| Methane SCHEMBL2033946 | 0.71 | SLC7A5 (0.52) | ALDH1A1MAPTPTGS1SLC7A5SLC1A3 | |
| Methane SCHEMBL2032537 | 0.71 | SLC7A5 (0.52) | ALDH1A1MAPTPTGS1SLC7A5SLC1A3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001021599-A1 | CASPASE INHIBITOR | LG CHEMICAL LTD. (KR) | 2001-03-29 | — | — | WO | disclosed |
| US-4956504-A | IMMUNOMODULATORS, ANTIBIOTICS | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1990-09-11 | — | — | US | disclosed |
| EP-0309971-A2 | New spergualin-related compound and pharmaceutical composition | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 1989-04-05 | — | — | EP | disclosed |
| EP-0241797-A2 | Novel spergualin-related compounds and process for producing the same | MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) | 1987-10-21 | — | — | EP | disclosed |