Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 4/20 | 0.59 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.38 |
| ▸ | TOP1 | P11387 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8952847 | 0.88 | HMGCR (0.58) | HMGCRMAPTKDM4EPOLBALDH1A1 | |
| SCHEMBL8952858 | 0.88 | HMGCR (0.58) | HMGCRMAPTKDM4EPOLBALDH1A1 | |
| SCHEMBL8876672 | 0.85 | HMGCR (0.57) | HMGCRMAPTKDM4EPOLBALDH1A1 | |
| SCHEMBL8876661 | 0.85 | HMGCR (0.57) | HMGCRMAPTKDM4EPOLBALDH1A1 | |
| SCHEMBL8878532 | 0.84 | HMGCR (0.54) | HMGCRMAPTKDM4EPOLBALDH1A1 | |
| SCHEMBL6957662 | 0.81 | ADORA2A (0.43) | HMGCRALDH1A1TP53 | |
| SCHEMBL8876854 | 0.80 | HMGCR (0.48) | HMGCRMAPTKDM4EPOLBALDH1A1 | |
| SCHEMBL8877987 | 0.80 | HMGCR (0.49) | HMGCRMAPTKDM4ESQOR | |
| SCHEMBL8878341 | 0.78 | HMGCR (0.57) | HMGCRSQORTOP1 | |
| SCHEMBL8880213 | 0.78 | HMGCR (0.50) | HMGCRMAPTSQOR |
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 |