Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 7/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL22747383 | 0.88 | PDE2A (0.44) | PDE2AHTR2AHTR2CHTR2BTAS2R14 | |
| SCHEMBL27877627 | 0.86 | PDE2A (0.47) | PDE2AP2RX7HTR2AHTR2CHTR2B | |
| SCHEMBL6794936 | 0.85 | PDE2A (0.59) | PDE2AHTR2AHTR2CHTR2BGSK3B | |
| SCHEMBL150245 | 0.85 | PDE2A (0.59) | PDE2AHTR2AHTR2CHTR2BGSK3B | |
| SCHEMBL31040742 | 0.85 | PDE2A (0.59) | PDE2AHTR2AHTR2CHTR2BGSK3B | |
| SCHEMBL31064629 | 0.85 | PDE2A (0.59) | PDE2AHTR2AHTR2CHTR2BGSK3B | |
| Hydrochloric Acid SCHEMBL29072767 | 0.83 | PDE2A (0.41) | PDE2AHTR2AHTR2CHTR2BTAS2R14 | |
| Hydrochloric Acid SCHEMBL30117081 | 0.83 | PDE2A (0.41) | PDE2AHTR2AHTR2CHTR2BTAS2R14 | |
| SCHEMBL17698505 | 0.82 | P2RX7 (0.47) | PDE2AP2RX7HTR2AHTR2CHTR2B | |
| SCHEMBL22717245 | 0.82 | P2RX7 (0.47) | PDE2AP2RX7HTR2AHTR2CHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| CN-105555783-A | Autotaxin inhibitors comprising a heteroaromatic ring-benzyl-amide-cycle core | NOVARTIS AG | 2016-05-04 | — | — | CN | disclosed |
| CN-101437804-A | Dibenzyl amine compounds and derivatives | PFIZER PROD INC (US) | 2009-05-20 | — | — | CN | disclosed |
| CN-101437803-A | Dibenzyl amine derivatives as CETP inhibitors | PFIZER PROD INC (US) | 2009-05-20 | — | — | CN | disclosed |
| CN-101065366-A | Dibenzyl amine compounds and derivatives | PFIZER PROD INC (US) | 2007-10-31 | — | — | CN | disclosed |