Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 6/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | EDNRB | P24530 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6981407 | 0.87 | CNR1 (0.37) | HSD11B1SIGMAR1 | |
| SCHEMBL6976227 | 0.85 | ALDH1A1 (0.35) | LMNAHSD11B1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6975621 | 0.83 | APP (0.38) | CYP1A2CYP2C19HIF1ASMN1; SMN2LMNA | |
| SCHEMBL6971210 | 0.80 | CYP1A2 (0.41) | CYP1A2CYP2C19HIF1ASMN1; SMN2HTT | |
| SCHEMBL6978137 | 0.73 | OPRM1 (0.43) | SMN1; SMN2HTTLMNANPSR1MDM2 | |
| SCHEMBL6980629 | 0.72 | APP (0.41) | CYP1A2CYP2C19LMNAMEN1KMT2A | |
| SCHEMBL7145811 | 0.70 | APP (0.38) | SMN1; SMN2HTTLMNAMEN1KMT2A | |
| SCHEMBL6982681 | 0.69 | THRB (0.44) | NPSR1MEN1KMT2ATHRBTDP1 | |
| SCHEMBL6983604 | 0.68 | OPRM1 (0.41) | CYP1A2SMN1; SMN2LMNANPSR1MEN1 | |
| SCHEMBL6982483 | 0.68 | KIF11 (0.44) | CYP1A2CYP2C19HIF1ASMN1; SMN2HTT |
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-1098893-B1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GMBH (DE) | 2003-03-26 | — | — | EP | claimed |