Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 3/20 | 0.54 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.47 |
| ▸ | TOP1 | P11387 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8952886 | 0.89 | HMGCR (0.55) | HMGCRSQORTOP1ADORA2AADORA1 | |
| SCHEMBL8952895 | 0.89 | HMGCR (0.55) | HMGCRSQORTOP1ADORA2AADORA1 | |
| SCHEMBL8877361 | 0.82 | SQOR (0.44) | HMGCRSQORTOP1ADORA2AADORA1 | |
| SCHEMBL8878341 | 0.82 | HMGCR (0.57) | HMGCRSQORTOP1ADORA2AADORA1 | |
| SCHEMBL6956685 | 0.82 | HMGCR (0.51) | HMGCRADORA2AADORA1HPGDCYP1A2 | |
| SCHEMBL9857094 | 0.79 | PTGS2 (0.41) | HMGCRMEN1ALDH1A1KMT2A | |
| SCHEMBL8877652 | 0.79 | HMGCR (0.44) | HMGCRSQORTOP1ADORA2AADORA1 | |
| SCHEMBL8878484 | 0.78 | HMGCR (0.45) | HMGCRSQORTOP1ADORA2AADORA1 | |
| SCHEMBL8878224 | 0.77 | MAPT (0.51) | HMGCRSQORTOP1ADORA2AADORA1 | |
| SCHEMBL6960475 | 0.77 | MEN1 (0.43) | HMGCRHPGDMAPTKDM4EL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5691322-A | Quinoline and pyridine anchors for HMG-CoA reductase inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1997-11-25 | — | — | US | disclosed |
| US-5686433-A | CHOLESTEROL BIOSYNTHESIS INHIBITION | E.R. SQUIBB & SONS, INC. (US) | 1997-11-11 | — | — | US | disclosed |
| US-5506219-A | ANTICHOLESTEROL AND ANTILIPEMIC AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1996-04-09 | — | — | US | disclosed |
| EP-0356788-A2 | Quinoline and pyridine anchors for HMG-CoA reductase inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1990-03-07 | — | — | EP | disclosed |