Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | TGFBR1 | P36897 | 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 | |
|---|---|---|---|---|
| SCHEMBL17849343 | 0.74 | IDO1 (0.37) | — | |
| SCHEMBL827247 | 0.70 | CCR1 (0.48) | CCR1CCR5CCR8PTGS1PTGS2 | |
| SCHEMBL17849757 | 0.65 | HDAC3 (0.38) | CCR1CCR5CCR8PTGS1PTGS2 | |
| SCHEMBL23348867 | 0.63 | CCR1 (0.47) | CCR1CCR5CCR8PTGS1PTGS2 | |
| SCHEMBL2538923 | 0.63 | CCR1 (0.63) | CCR1CCR5CCR8PTGS1PTGS2 | |
| SCHEMBL29577140 | 0.60 | CCR1 (0.70) | CCR1CCR5CCR8 | |
| SCHEMBL913279 | 0.60 | CCR1 (0.70) | CCR1CCR5CCR8 | |
| SCHEMBL1662224 | 0.60 | ASIC3 (0.59) | CCR1CCR5CCR8 | |
| SCHEMBL2383189 | 0.59 | KDM4E (0.50) | — | |
| SCHEMBL2382890 | 0.59 | KDM4E (0.45) | CCR1CCR5CCR8TGFBR1 |
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-9370504-B2 | Pharmaceutical composition containing 1,2-dithiolthione derivative for preventing or treating disease caused by overexpression of LXR-α | SNU R&DB FOUNDATION (KR) | 2016-06-21 | — | — | US | disclosed |