Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 8/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.59 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.59 |
| ▸ | HDAC7 | Q8WUI4 | 7/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.59 |
| ▸ | HDAC10 | Q969S8 | 7/20 | 0.59 |
| ▸ | HDAC11 | Q96DB2 | 7/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.59 |
| ▸ | HDAC9 | Q9UKV0 | 7/20 | 0.59 |
| ▸ | HDAC5 | Q9UQL6 | 7/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | NPY1R | P25929 | 1/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL17849758 | 0.75 | HDAC3 (0.46) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL28820748 | 0.74 | HDAC3 (0.64) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9534281 | 0.74 | HDAC3 (0.64) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2462288 | 0.74 | HDAC3 (0.59) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| Anetholtrithion SCHEMBL225654 | 0.69 | MEN1 (1.00) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL19002178 | 0.69 | HDAC3 (0.58) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL15928850 | 0.69 | HDAC3 (0.58) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL19002183 | 0.69 | HDAC6 (0.58) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11040858 | 0.68 | HDAC3 (0.52) | HDAC8HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL12601934 | 0.68 | HDAC3 (0.56) | HDAC8HDAC3HDAC4HDAC1HDAC7 |
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 |