Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6981777 | 0.72 | AKR1C1 (0.41) | ALDH1A1OPRM1OPRL1MEN1KMT2A | |
| SCHEMBL6982070 | 0.70 | AKR1C1 (0.40) | ALDH1A1OPRM1OPRL1MEN1KMT2A | |
| SCHEMBL11825227 | 0.70 | OPRM1 (0.42) | ALDH1A1OPRM1OPRL1MEN1KMT2A | |
| SCHEMBL11209541 | 0.68 | HDAC3 (0.47) | ALDH1A1HSD11B1KEAP1HDAC3MAPK1 | |
| SCHEMBL13082818 | 0.68 | OPRM1 (0.44) | ALDH1A1OPRM1OPRL1HSD11B1KEAP1 | |
| SCHEMBL7269135 | 0.67 | KDM1A (0.43) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL6982378 | 0.67 | ALDH1A1 (0.40) | ALDH1A1OPRM1OPRL1MEN1KMT2A | |
| SCHEMBL21826552 | 0.66 | KEAP1 (0.47) | ALDH1A1OPRM1OPRL1HSD11B1KEAP1 | |
| SCHEMBL11203828 | 0.66 | MAPT (0.50) | HDAC3MAPK1ADRA1AHDAC4SLC6A3 | |
| SCHEMBL10487154 | 0.65 | MAOA (0.39) | ALDH1A1OPRM1OPRL1HSD11B1KEAP1 |
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 |