Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GCGR | P47871 | 5/20 | 0.43 |
| ▸ | HMGCR | P04035 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PDE6D | O43924 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL8241631 | 0.84 | GCGR (0.44) | GCGRHMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL27850982 | 0.83 | GCGR (0.43) | GCGRHMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL8184388 | 0.82 | GCGR (0.41) | GCGRHMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL12617063 | 0.81 | HMGCR (0.46) | GCGRHMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL10129258 | 0.81 | HMGCR (0.47) | GCGRHMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL14189835 | 0.81 | PTGS2 (0.43) | GCGRHMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL3082 | 0.81 | ADORA1 (0.45) | GCGRHMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL9562922 | 0.80 | HMGCR (0.56) | GCGRHMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL10360 | 0.78 | HMGCR (0.48) | GCGRHMGCRALDH1A1CYP3A4PDE6D | |
| SCHEMBL5698777 | 0.78 | HMGCR (0.49) | GCGRHMGCRALDH1A1CYP3A4PDE6D |
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-2010038124-A1 | AN IMPROVED PROCESS FOR PREPARING PYRIMIDINE PROPENALDEHYDE | AUROBINDO PHARMA LIMITED (IN) | 2010-04-08 | — | — | WO | disclosed |