Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4677271 | 0.87 | ALOX15 (0.40) | ALOX15GFERADAM17ATMPPARG | |
| SCHEMBL18097556 | 0.82 | ALOX15 (0.35) | ALOX15GFERADAM17ATMPPARG | |
| SCHEMBL13615572 | 0.81 | ALOX15 (0.37) | ALOX15GFERADAM17ATMPPARG | |
| SCHEMBL1287536 | 0.80 | GPR6 (0.36) | ALOX15GFERADAM17ATMPPARG | |
| SCHEMBL12474364 | 0.80 | ALOX15 (0.36) | ALOX15GFERADAM17ATMPPARG | |
| SCHEMBL20494966 | 0.80 | ALDH1A1 (0.41) | ALOX15GFERADAM17ATMPPARG | |
| SCHEMBL2337969 | 0.78 | CYP2D6 (0.53) | MAOBCYP2D6 | |
| SCHEMBL13264078 | 0.78 | ALOX15 (0.43) | ALOX15GFERADAM17ATMPPARG | |
| SCHEMBL4680033 | 0.76 | MRGPRX4 (0.40) | ALOX15GFERADAM17ATMPPARG | |
| SCHEMBL3391434 | 0.76 | DRD1 (0.41) | ALOX15GFERADAM17ATMPPARG |
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-3285581-A1 | PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2018-02-28 | — | — | EP | disclosed |
| WO-2016154081-A1 | PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-09-29 | — | — | WO | disclosed |