Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 4/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7499305 | 1.00 | CCR5 (0.44) | CCR5GRIN2BHTTSIGMAR1KDM1A | |
| SCHEMBL7938390 | 0.85 | CCR5 (0.39) | CCR5GRIN2BHTTRIPK1 | |
| SCHEMBL7504755 | 0.85 | CCR5 (0.39) | CCR5GRIN2BHTTRIPK1 | |
| SCHEMBL7817702 | 0.80 | CCR5 (0.50) | CCR5SIGMAR1KDM1ARORC | |
| SCHEMBL4105592 | 0.80 | CCR5 (0.50) | CCR5SIGMAR1KDM1ARORC | |
| SCHEMBL5266055 | 0.80 | CCR5 (0.50) | CCR5SIGMAR1KDM1ARORC | |
| SCHEMBL7827978 | 0.80 | CCR5 (0.50) | CCR5SIGMAR1KDM1ARORC | |
| SCHEMBL14224261 | 0.80 | CCR5 (0.50) | CCR5SIGMAR1KDM1ARORC | |
| SCHEMBL7491709 | 0.80 | HTT (0.37) | CCR5HTTKDM1AHRH3 | |
| SCHEMBL7984238 | 0.77 | CCR5 (0.53) | CCR5GRIN2BHTTRORC |
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-6265434-B1 | ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. | 2001-07-24 | — | — | US | disclosed |