Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 7/20 | 0.57 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PDE6D | O43924 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | GCGR | P47871 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 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 | |
|---|---|---|---|---|
| SCHEMBL10433924 | 1.00 | HMGCR (0.57) | HMGCRDPP4ALDH1A1CYP3A4PDE6D | |
| SCHEMBL9788409 | 0.91 | HMGCR (0.51) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL9562922 | 0.88 | HMGCR (0.56) | HMGCRDPP4ALDH1A1CYP3A4PDE6D | |
| SCHEMBL9562755 | 0.85 | HMGCR (0.56) | HMGCRDPP4ALDH1A1CYP3A4PDE6D | |
| SCHEMBL9562749 | 0.85 | HMGCR (0.56) | HMGCRDPP4ALDH1A1CYP3A4PDE6D | |
| SCHEMBL9788395 | 0.85 | DPP4 (0.45) | HMGCRDPP4ALDH1A1PDE4DHTR2A | |
| SCHEMBL9521683 | 0.83 | HMGCR (0.53) | HMGCRDPP4ALDH1A1CYP3A4PDE6D | |
| SCHEMBL8846369 | 0.83 | HMGCR (0.53) | HMGCRDPP4ALDH1A1CYP3A4HTR2A | |
| SCHEMBL10129259 | 0.80 | HMGCR (0.48) | HMGCRALDH1A1CYP3A4PDE6DNR1I2 | |
| SCHEMBL17875116 | 0.80 | ADORA1 (0.41) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0367895-A1 | Pyrimidinyl-substituted hydroxyacids, lactones and esters and pharmaceutical compositions containing them | SANDOZ AG (CH) | 1990-05-16 | — | — | EP | disclosed |