Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 2/20 | 0.45 |
| ▸ | SQOR | Q9Y6N5 | 3/20 | 0.43 |
| ▸ | TOP1 | P11387 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8878404 | 0.84 | HMGCR (0.48) | HMGCRSQORTOP1DHODHADORA2A | |
| SCHEMBL8878224 | 0.83 | MAPT (0.51) | HMGCRSQORTOP1ALDH1A1L3MBTL1 | |
| SCHEMBL8879664 | 0.78 | HMGCR (0.54) | HMGCRSQORTOP1ALDH1A1L3MBTL1 | |
| Pyridine SCHEMBL8878037 | 0.78 | MAPT (0.46) | HMGCRSQORTOP1ALDH1A1L3MBTL1 | |
| SCHEMBL8876854 | 0.76 | HMGCR (0.48) | HMGCRALDH1A1L3MBTL1DHODHMAPT | |
| SCHEMBL8952895 | 0.75 | HMGCR (0.55) | HMGCRSQORTOP1ADORA2AADORA1 | |
| SCHEMBL8952886 | 0.75 | HMGCR (0.55) | HMGCRSQORTOP1ADORA2AADORA1 | |
| Methane SCHEMBL10345704 | 0.74 | TOP1 (0.49) | HMGCRSQORTOP1ALDH1A1L3MBTL1 | |
| SCHEMBL8878362 | 0.73 | SQOR (0.48) | HMGCRSQORTOP1ALDH1A1L3MBTL1 | |
| SCHEMBL8877552 | 0.70 | MAPT (0.49) | SQORTOP1DHODHADORA2AADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |