Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6506729 | 0.96 | KCNN4 (0.44) | KCNN4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6511721 | 0.91 | CYP2C19 (0.38) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL6509946 | 0.89 | CYP2C19 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL27578211 | 0.86 | KCNN4 (0.34) | KCNN4PRSS1CTSGCTRB1CMA1 | |
| SCHEMBL6508892 | 0.85 | CYP2C19 (0.40) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL6700913 | 0.82 | CYP2C19 (0.38) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL6698317 | 0.81 | CYP2C19 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL4955211 | 0.80 | KCNN4 (0.49) | KCNN4PRSS1CTSGCTRB1CMA1 | |
| SCHEMBL6508061 | 0.80 | HDAC3 (0.35) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL6691110 | 0.79 | CES1 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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-6673780-B2 | SUCH AS 4-(4-(3-HYDROXY-3-METHYL-BUTANE-1-SULFINYLMETHYL)-PHENYLMETHANESULFINYL)-2 -METHYL-BUTAN1-OL FOR TREATING AND PREVENTING CARDIOVASCULAR DISEASES, DYSLIPIDEMIAS, DYSPROTEINEMIAS, AND GLUCOSE METABOLISM DISORDERS | ESPERION THERAPEUTICS, INC. | 2004-01-06 | — | — | US | disclosed |