Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL6981459 | 0.81 | OPRM1 (0.46) | SMN1; SMN2OPRM1MEN1KMT2AL3MBTL1 | |
| SCHEMBL6982070 | 0.77 | AKR1C1 (0.40) | ALDH1A1AKR1C1OPRM1OPRL1LMNA | |
| SCHEMBL6981777 | 0.75 | AKR1C1 (0.41) | ALDH1A1SMN1; SMN2AKR1C1OPRM1OPRL1 | |
| SCHEMBL6978477 | 0.71 | LMNA (0.39) | SMN1; SMN2AKR1C1OPRM1OPRL1LMNA | |
| SCHEMBL6979914 | 0.69 | MEN1 (0.51) | OPRM1OPRL1LMNAMEN1KMT2A | |
| SCHEMBL6971207 | 0.68 | OPRM1 (0.44) | ALDH1A1SMN1; SMN2OPRM1OPRL1KMT2A | |
| SCHEMBL6967893 | 0.68 | CNR1 (0.40) | ALDH1A1AKR1C1KMT2AL3MBTL1MAPK1 | |
| SCHEMBL6982594 | 0.68 | HSD11B1 (0.39) | SMN1; SMN2AKR1C1MEN1CYP2C9KMT2A | |
| SCHEMBL6982390 | 0.67 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2AKR1C1OPRM1OPRL1 | |
| SCHEMBL11185358 | 0.67 | ALDH1A1 (0.57) | ALDH1A1AKR1C1OPRM1OPRL1LMNA |
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 | disclosed |