Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WDR5 | P61964 | 12/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | GCGR | P47871 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8866031 | 0.90 | HRH3 (0.42) | WDR5ITGB3ITGA2BS1PR1PDE10A | |
| SCHEMBL8866699 | 0.85 | WDR5 (0.48) | WDR5ITGB3ITGA2BS1PR1GCGR | |
| Trifluoroacetic Acid SCHEMBL8866066 | 0.85 | GCGR (0.40) | ITGB3ITGA2BGCGR | |
| SCHEMBL8866714 | 0.78 | ACACB (0.50) | WDR5 | |
| SCHEMBL8866200 | 0.74 | NME4 (0.40) | WDR5ITGB3ITGA2BS1PR1GCGR | |
| SCHEMBL8866724 | 0.73 | WDR5 (0.42) | WDR5PDE10A | |
| SCHEMBL8866550 | 0.72 | NR4A2 (0.47) | WDR5GCGR | |
| SCHEMBL8866813 | 0.72 | ACACB (0.51) | WDR5 | |
| Trifluoroacetic Acid SCHEMBL8866836 | 0.71 | F11 (0.40) | WDR5PDE10A | |
| SCHEMBL25263880 | 0.69 | FYN (0.52) | ITGB3ITGA2BS1PR1GCGR |
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 2 patents. 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 |
| EP-0668278-A1 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1995-08-23 | — | — | EP | disclosed |