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 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.42 |
| ▸ | FNTB | P49356 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.41 |
| ▸ | PLA2G10 | O15496 | 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 | |
|---|---|---|---|---|
| SCHEMBL9079364 | 0.83 | CES1 (0.54) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL6687334 | 0.83 | CES1 (0.54) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL51367 | 0.83 | CES1 (0.64) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL9111034 | 0.81 | CES1 (0.61) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL6363616 | 0.81 | CES1 (0.61) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL4638137 | 0.80 | CES1 (0.50) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL3966085 | 0.79 | AKR1B1 (0.65) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL4958170 | 0.78 | CES1 (0.50) | CES1CES2AKR1B1MEN1KMT2A | |
| SCHEMBL77563 | 0.78 | CES1 (0.70) | CES1CES2AKR1B1MEN1KMT2A | |
| Iodide SCHEMBL28732841 | 0.76 | CES1 (0.48) | 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-0458823-A1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES. | BOEHRINGER MANNHEIM ITALIA (IT) | 1991-12-04 | — | — | EP | disclosed |