Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 3/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17849753 | 0.75 | HDAC8 (0.59) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4027001 | 0.73 | IDO1 (0.55) | ADORA2AADORA1IDO1CYP19A1CCNC | |
| SCHEMBL17849757 | 0.71 | HDAC3 (0.38) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL9534281 | 0.71 | HDAC3 (0.64) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL3169941 | 0.69 | IDO1 (0.45) | ADORA2AADORA1IDO1CYP19A1CCNC | |
| SCHEMBL1681410 | 0.69 | CYP2E1 (0.47) | KCNH2IDO1CYP19A1S1PR1S1PR3 | |
| SCHEMBL1681489 | 0.68 | HSD17B1 (0.46) | ADORA2AADORA1IDO1CYP19A1CCNC | |
| SCHEMBL17632269 | 0.67 | DYRK1A (0.54) | ADORA2AADORA1MEN1KMT2AIDO1 | |
| SCHEMBL18775606 | 0.67 | PARP10 (0.40) | PGRIDO1CYP19A1CCNCCDK8 | |
| SCHEMBL23348686 | 0.66 | IDO1 (0.53) | ADORA2AADORA1IDO1CYP19A1CCNC |
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 |