Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22109001 | 0.82 | PPARG (0.56) | ALDH1A1PLK1PPARAHPGDMAPT | |
| SCHEMBL22108797 | 0.82 | PLK1 (0.50) | ALDH1A1PLK1PPARAHPGDMAPT | |
| SCHEMBL5195645 | 0.81 | PLK1 (0.49) | ALDH1A1PLK1PPARAHPGDMAPT | |
| SCHEMBL11693109 | 0.79 | CFTR (0.42) | ALDH1A1PLK1HPGDMAPTNR1H4 | |
| SCHEMBL23935750 | 0.79 | NR1H4 (0.43) | ALDH1A1PLK1PPARAHPGDMAPT | |
| SCHEMBL5196436 | 0.78 | NPC1 (0.56) | ALDH1A1PLK1PPARAHPGDMAPT | |
| SCHEMBL30854401 | 0.77 | PPARA (0.54) | ALDH1A1PLK1PPARAHPGDMAPT | |
| SCHEMBL23935486 | 0.77 | PTGS1 (0.58) | ALDH1A1PPARAMAPTPPARGMEN1 | |
| SCHEMBL328279 | 0.75 | ALDH1A1 (0.67) | ALDH1A1PLK1HPGDMAPTHTT | |
| SCHEMBL28703934 | 0.75 | ALDH1A1 (0.39) | ALDH1A1POLBPKMHDAC3HDAC1 |
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-3302486-A1 | DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2018-04-11 | — | — | EP | disclosed |
| WO-2016196417-A1 | DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-12-08 | — | — | WO | disclosed |