Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | NPY1R | P25929 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL827247 | 0.73 | CCR1 (0.48) | CCR1CCR5CCR8TGFBR1L3MBTL1 | |
| SCHEMBL17849758 | 0.71 | HDAC3 (0.46) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4873878 | 0.70 | CYP1A2 (0.46) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2383189 | 0.69 | KDM4E (0.50) | MEN1KMT2AL3MBTL1ALDH1A1MAPT | |
| SCHEMBL2382890 | 0.69 | KDM4E (0.45) | MEN1KMT2ACCR1CCR5CCR8 | |
| SCHEMBL9534281 | 0.67 | HDAC3 (0.64) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL23348867 | 0.66 | CCR1 (0.47) | MEN1KMT2ACCR1CCR5CCR8 | |
| SCHEMBL2538923 | 0.66 | CCR1 (0.63) | CCR1CCR5CCR8TGFBR1L3MBTL1 | |
| SCHEMBL17849353 | 0.65 | CCR1 (0.32) | CCR1CCR5CCR8TGFBR1PTGS1 | |
| SCHEMBL1662224 | 0.63 | ASIC3 (0.59) | MEN1ADORA2AKMT2ACCR1CCR5 |
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 |