Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6979914 | 0.83 | MEN1 (0.51) | CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL6982212 | 0.81 | THRB (0.46) | AKR1C1LMNAMEN1KMT2AALDH1A1 | |
| SCHEMBL6981777 | 0.79 | AKR1C1 (0.41) | AKR1C1TSHROPRM1OPRL1LMNA | |
| SCHEMBL6982378 | 0.77 | ALDH1A1 (0.40) | AKR1C1CHRNB2SLC6A2CHRNB4CHRNA3 | |
| SCHEMBL6978477 | 0.75 | LMNA (0.39) | AKR1C1CHRNB2SLC6A2CHRNB4CHRNA3 | |
| SCHEMBL6971207 | 0.72 | OPRM1 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4OPRM1 | |
| SCHEMBL6967893 | 0.71 | CNR1 (0.40) | AKR1C1KMT2AALDH1A1MAPTL3MBTL1 | |
| SCHEMBL6982594 | 0.71 | HSD11B1 (0.39) | AKR1C1CHRNB2SLC6A2CHRNB4CHRNA3 | |
| SCHEMBL15114500 | 0.71 | FFAR3 (0.38) | LMNANPSR1 | |
| SCHEMBL1818873 | 0.70 | MAPK1 (0.41) | AKR1C1CHRNB2SLC6A2CHRNB4CHRNA3 |
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 4 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 |
| EP-1098893-A1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GmbH (DE) | 2001-05-16 | — | — | EP | disclosed |
| WO-2000004011-A1 | CYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DYSLIPIDAEMIA, ATHEROSCLEROSIS AND DIABETES, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PROCESS | MERCK PATENT GMBH (DE) | 2000-01-27 | — | — | WO | disclosed |