Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6971210 | 0.86 | CYP1A2 (0.41) | KIF11HSD11B1SMN1; SMN2TP53CYP1A2 | |
| SCHEMBL6974413 | 0.84 | HRH1 (0.37) | KIF11SMN1; SMN2TP53CYP1A2CYP2C19 | |
| SCHEMBL6967893 | 0.83 | CNR1 (0.40) | HSD11B1ALDH1A1CNR1MAPK1CES2 | |
| SCHEMBL6970254 | 0.82 | OPRM1 (0.41) | KIF11HSD11B1SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL377756 | 0.81 | MAPK1 (0.40) | HSD11B1ALDH1A1CNR1MAPK1HDAC4 | |
| SCHEMBL6982681 | 0.76 | THRB (0.44) | KIF11ALDH1A1NPSR1HDAC4 | |
| SCHEMBL6975695 | 0.75 | POLB (0.38) | HSD11B1CYP1A2CYP2C19ALDH1A1HTT | |
| SCHEMBL6976918 | 0.75 | HSD11B1 (0.40) | HSD11B1LMNAALDH1A1MAPK1HDAC4 | |
| SCHEMBL7145811 | 0.73 | APP (0.38) | SMN1; SMN2LMNAALDH1A1HTTMAPK1 | |
| SCHEMBL6981777 | 0.73 | AKR1C1 (0.41) | SMN1; SMN2LMNAALDH1A1HTTMAPK1 |
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 2 patents. 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 | disclosed |
| US-6528538-B1 | Reaction of 1,3-propanediol derivative with a ketone or aldehyde | MERCK PATENTGESELLSCHAFT (DE) | 2003-03-04 | — | — | US | disclosed |