Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | PDE6D | O43924 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 3/20 | 0.37 |
| ▸ | CASP7 | P55210 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.37 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL2341001 | 0.84 | HMGCR (0.54) | HMGCRHDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL10129544 | 0.84 | KDM5B (0.41) | HMGCRHDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL10129494 | 0.84 | GCGR (0.46) | HMGCRHDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL10129495 | 0.83 | GCGR (0.43) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL10129522 | 0.81 | GCGR (0.57) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL20146246 | 0.80 | GCGR (0.43) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL10129258 | 0.79 | HMGCR (0.47) | HMGCRHDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL2343909 | 0.79 | ADORA2A (0.45) | GCGRHTR2AHTR2CHTR2BSCN9A | |
| SCHEMBL2342322 | 0.79 | GCGR (0.40) | GCGRHTR2AHTR2CHTR2B | |
| SCHEMBL2340496 | 0.79 | GCGR (0.43) | GCGRHTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012013325-A1 | PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF | LEK PHARMACEUTICALS D.D. (SI) | 2012-02-02 | — | — | WO | disclosed |