Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 8/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PDE6D | O43924 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9740609 | 1.00 | HMGCR (0.42) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL9740333 | 0.91 | HMGCR (0.37) | HMGCR | |
| SCHEMBL9740330 | 0.91 | HMGCR (0.37) | HMGCR | |
| SCHEMBL9738812 | 0.84 | — | — | |
| SCHEMBL9738819 | 0.84 | — | — | |
| SCHEMBL9739437 | 0.84 | HMGCR (0.41) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL9739431 | 0.84 | HMGCR (0.41) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL9740586 | 0.79 | HMGCR (0.41) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL9740576 | 0.79 | HMGCR (0.41) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL9739575 | 0.79 | PTGS2 (0.34) | — |
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-5110825-A | Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A; anticholesterol, antilipemic, antiatherosclerotic | SHIONOGI & CO., LTD. (JP) | 1992-05-05 | — | — | US | disclosed |