Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | PDE6D | O43924 | 1/20 | 0.55 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.55 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.54 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | AKT1 | P31749 | 2/20 | 0.52 |
| ▸ | GCGR | P47871 | 6/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2690 | 0.92 | HMGCR (0.58) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL29482554 | 0.92 | HMGCR (0.58) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL19792091 | 0.90 | HMGCR (0.54) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL14834043 | 0.88 | HMGCR (0.62) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL28860507 | 0.87 | HMGCR (0.56) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL28494229 | 0.87 | HMGCR (0.56) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL3445256 | 0.87 | HMGCR (0.56) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL4914199 | 0.87 | HMGCR (0.56) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL14833985 | 0.87 | HMGCR (0.54) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL246597 | 0.86 | HMGCR (0.55) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2350025-A1 | AN IMPROVED PROCESS FOR PREPARING PYRIMIDINE PROPENALDEHYDE | Aurobindo Pharma Limited (IN) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010038124-A1 | AN IMPROVED PROCESS FOR PREPARING PYRIMIDINE PROPENALDEHYDE | AUROBINDO PHARMA LIMITED (IN) | 2010-04-08 | — | — | WO | disclosed |