Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | P2RY12 | Q9H244 | 9/20 | 0.35 |
| ▸ | WDR5 | P61964 | 3/20 | 0.35 |
| ▸ | TTK | P33981 | 3/20 | 0.34 |
| ▸ | GCGR | P47871 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8866827 | 0.91 | WDR5 (0.41) | P2RY12WDR5 | |
| SCHEMBL8866103 | 0.88 | NPC1 (0.39) | NPC1GPR119P2RY12WDR5TTK | |
| SCHEMBL8866516 | 0.84 | WDR5 (0.40) | NPC1GPR119WDR5 | |
| SCHEMBL8867046 | 0.82 | ACACB (0.45) | GPR119WDR5TTK | |
| SCHEMBL8866724 | 0.79 | WDR5 (0.42) | P2RY12WDR5 | |
| SCHEMBL8867025 | 0.77 | WDR5 (0.44) | WDR5 | |
| SCHEMBL8866088 | 0.74 | ACACB (0.45) | GPR119TTK | |
| SCHEMBL8867199 | 0.74 | ALDH1A1 (0.44) | NPC1GCGR | |
| SCHEMBL8866814 | 0.74 | ACACB (0.49) | WDR5 | |
| SCHEMBL8866307 | 0.72 | SUV39H2 (0.46) | NPC1GCGR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5614531-A | Adhesion receptor antagonists | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-03-25 | — | — | US | disclosed |