Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | P2RX4 | Q99571 | 3/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | CHRND | Q07001 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL6971210 | 0.86 | CYP1A2 (0.41) | HRH1SMN1; SMN2TP53KIF11SLC6A2 | |
| SCHEMBL6982483 | 0.84 | KIF11 (0.44) | CCR1SMN1; SMN2TP53KIF11NPSR1 | |
| SCHEMBL6967893 | 0.83 | CNR1 (0.40) | CNR1MAPK1CES2CES1 | |
| SCHEMBL6975804 | 0.82 | OPRM1 (0.41) | SMN1; SMN2LMNAHTTMAPK1 | |
| SCHEMBL377756 | 0.81 | MAPK1 (0.40) | CHRNA1CHRNGCHRNB1CHRNB2SLC6A2 | |
| SCHEMBL6982681 | 0.76 | THRB (0.44) | HTR2AKIF11NPSR1HDAC4 | |
| SCHEMBL6975695 | 0.75 | POLB (0.38) | HRH1HTR2ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6976918 | 0.75 | HSD11B1 (0.40) | LMNAMAPK1HDAC4 | |
| SCHEMBL7145811 | 0.73 | APP (0.38) | SMN1; SMN2SLC6A4LMNAHTTMAPK1 | |
| SCHEMBL6981777 | 0.73 | AKR1C1 (0.41) | HTR2ASMN1; SMN2LMNAHTTMAPK1 |
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 |