Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | HMGCR | P04035 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8878102 | 0.95 | GCGR (0.36) | GCGR | |
| SCHEMBL8876776 | 0.94 | HMGCR (0.36) | HMGCRGCGR | |
| SCHEMBL8877479 | 0.92 | — | — | |
| SCHEMBL8877671 | 0.87 | — | — | |
| SCHEMBL8879918 | 0.86 | HMGCR (0.37) | HMGCR | |
| SCHEMBL8877485 | 0.86 | — | — | |
| SCHEMBL8877068 | 0.85 | KDM4E (0.41) | — | |
| SCHEMBL8953090 | 0.83 | HMGCR (0.40) | ESR1HMGCRCHRM1TBXA2RPDE4A | |
| SCHEMBL8953087 | 0.83 | HMGCR (0.40) | ESR1HMGCRCHRM1TBXA2RPDE4A | |
| SCHEMBL8877222 | 0.81 | — | — |
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 |