Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 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 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.38 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL9263074 | 0.91 | HMGCR (0.43) | HMGCRHDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL9263064 | 0.91 | HMGCR (0.43) | HMGCRHDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL9690631 | 0.89 | HMGCR (0.47) | HMGCRHDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL27308975 | 0.81 | HMGCR (0.46) | HMGCRHDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL6957249 | 0.81 | HMGCR (0.46) | HMGCRHDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL10517235 | 0.81 | HMGCR (0.40) | HMGCRHDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL6962805 | 0.80 | HMGCR (0.41) | HMGCRHDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL27299927 | 0.80 | HMGCR (0.41) | HMGCRHDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL6957201 | 0.79 | HMGCR (0.41) | HMGCRHDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL8949666 | 0.77 | HMGCR (0.44) | HMGCRNR1I2PDE4DESR1CHRM1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0325130-B1 | Substituted pyridines | BAYER AG (DE) | 2003-11-05 | — | — | EP | disclosed |
| EP-1123924-A1 | Substituted pyridines as HMG-COA reductase inhibitors | BAYER AG (DE) | 2001-08-16 | — | — | EP | disclosed |
| EP-1123925-A1 | Process for preparation of substituted pyridines | BAYER AG (DE) | 2001-08-16 | — | — | EP | disclosed |
| EP-0325130-A2 | Substituted pyridines | BAYER AG (DE) | 1989-07-26 | — | — | EP | disclosed |