Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8877201 | 0.96 | NPSR1 (0.40) | HMGCRNPSR1KDM4EHTTL3MBTL1 | |
| SCHEMBL8877354 | 0.92 | HMGCR (0.43) | HMGCRNPSR1KDM4EHTTL3MBTL1 | |
| SCHEMBL8877694 | 0.88 | ADORA2A (0.40) | HMGCRNPSR1KDM4EHTTL3MBTL1 | |
| SCHEMBL8877064 | 0.87 | SQOR (0.43) | NPSR1KDM4E | |
| SCHEMBL8877221 | 0.83 | — | — | |
| SCHEMBL8878176 | 0.78 | SQOR (0.42) | NPSR1KDM4EADORA2AADORA1MAPT | |
| SCHEMBL8877339 | 0.78 | SQOR (0.40) | — | |
| SCHEMBL8878097 | 0.77 | GCGR (0.34) | — | |
| SCHEMBL8877271 | 0.77 | GCGR (0.34) | — | |
| SCHEMBL8878668 | 0.77 | HMGCR (0.42) | HMGCRNPSR1KDM4EHTTL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5691322-A | Quinoline and pyridine anchors for HMG-CoA reductase inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1997-11-25 | — | — | US | disclosed |