Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.42 |
| ▸ | FNTB | P49356 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11564900 | 1.00 | CES1 (0.50) | CES1CES2AKR1B1HIF1AMEN1 | |
| SCHEMBL3917563 | 0.86 | CES1 (0.52) | CES1CES2AKR1B1HIF1AMEN1 | |
| SCHEMBL3917561 | 0.86 | CES1 (0.52) | CES1CES2AKR1B1HIF1AMEN1 | |
| SCHEMBL9504242 | 0.82 | CES1 (0.48) | CES1CES2AKR1B1HIF1AMEN1 | |
| SCHEMBL9504244 | 0.82 | CES1 (0.48) | CES1CES2AKR1B1HIF1AMEN1 | |
| SCHEMBL20954396 | 0.82 | CES1 (0.48) | CES1CES2AKR1B1HIF1AMEN1 | |
| SCHEMBL20954638 | 0.82 | CES1 (0.48) | CES1CES2AKR1B1HIF1AMEN1 | |
| SCHEMBL21425218 | 0.81 | MEP1B (0.43) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL7570815 | 0.81 | MEP1B (0.43) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL14638355 | 0.81 | MEP1B (0.43) | CES1CES2AKR1B1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0001769-A1 | Sulfur-containing esters of 1,4-dihydropyridine carboxylic acids, their preparation and pharmaceutical use | BAYER AG (DE) | 1979-05-16 | — | — | EP | disclosed |