Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 6/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | KHK | P50053 | 1/20 | 0.31 |
| ▸ | JUN | P05412 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31729367 | 0.83 | PDE2A (0.35) | PDE2ANR3C1KMT2AMEN1GAA | |
| SCHEMBL8089905 | 0.77 | PDE2A (0.40) | PDE2ANR3C1KMT2AGAASMN1; SMN2 | |
| SCHEMBL2546778 | 0.76 | KHK (0.54) | NR3C1KMT2AMEN1GAAKHK | |
| SCHEMBL30259549 | 0.76 | PDE2A (0.39) | PDE2AKMT2AGAACYP1A2CYP3A4 | |
| SCHEMBL26527418 | 0.76 | PDE2A (0.39) | PDE2AKMT2AGAACYP1A2CYP3A4 | |
| SCHEMBL30968152 | 0.76 | PDE2A (0.39) | PDE2ANR3C1KMT2AGAACYP1A2 | |
| SCHEMBL31729399 | 0.75 | PDE2A (0.36) | PDE2AKMT2AMEN1GAA | |
| SCHEMBL31728695 | 0.73 | CSNK1A1 (0.39) | PDE2AKMT2AGAASMN1; SMN2 | |
| SCHEMBL22745727 | 0.72 | PDE4D (0.45) | LRRK2 | |
| SCHEMBL31729103 | 0.72 | PDE2A (0.36) | PDE2AKMT2AGAA |
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-2008069997-A1 | SUBSTITUTED DIAZEPAN COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-06-12 | — | — | WO | disclosed |