Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 6/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.41 |
| ▸ | PRKDC | P78527 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | SERPINA2 | P20848 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TOP2A | P11388 | 1/20 | 0.39 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 0.38 |
| ▸ | PIK3C2A | O00443 | 1/20 | 0.38 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL625493 | 0.78 | PDE3B (0.43) | PDE3BPDE3ALMNACHEK1AURKB | |
| SCHEMBL626022 | 0.76 | CYP11B1 (0.33) | PRMT5WDR77 | |
| SCHEMBL625884 | 0.75 | PGR (0.40) | PIK3CDPIK3CAPIK3CBPIK3CGLMNA | |
| SCHEMBL625475 | 0.75 | PGR (0.57) | LMNA | |
| SCHEMBL625825 | 0.74 | METAP2 (0.39) | PDE2APDE3BPDE3ALMNA | |
| SCHEMBL627105 | 0.74 | METAP2 (0.41) | PDE2ALMNA | |
| SCHEMBL625578 | 0.73 | CHEK1 (0.36) | PDE3BPDE3ALMNACHEK1 | |
| SCHEMBL625682 | 0.73 | GRM2 (0.42) | LMNACHEK1KDM5B | |
| SCHEMBL625999 | 0.69 | BRD4 (0.35) | — | |
| SCHEMBL624871 | 0.69 | CSNK2A2 (0.36) | PDE2APDE3BPDE3ALMNA |
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-2603079-A1 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | Merck Sharp & Dohme Corp. (US) | 2013-06-19 | — | — | EP | claimed |
| WO-2012021382-A1 | POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 | MERCK SHARP & DOHME CORP. (US) | 2012-02-16 | — | — | WO | claimed |