Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 14/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.36 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL20551557 | 1.00 | PDE2A (0.51) | PDE2AGAAGSK3BIDO1CYP3A4 | |
| SCHEMBL5608722 | 0.86 | IDO1 (0.43) | PDE2AGAAGSK3BIDO1TDO2 | |
| SCHEMBL6446889 | 0.79 | CES2 (0.43) | PDE2AGSK3BIDO1TDO2 | |
| SCHEMBL1128052 | 0.78 | CES2 (0.43) | IDO1CYP3A4TDO2 | |
| SCHEMBL6448282 | 0.78 | PDE2A (0.36) | PDE2AGSK3B | |
| SCHEMBL3248499 | 0.78 | PDE2A (0.42) | PDE2AGSK3B | |
| SCHEMBL18103269 | 0.77 | PDE2A (0.66) | PDE2AIDO1CYP3A4CYP3A5 | |
| SCHEMBL3398239 | 0.77 | APLNR (0.42) | GAA | |
| SCHEMBL20551400 | 0.75 | MDM2 (0.38) | CYP3A4CYP3A5 | |
| SCHEMBL1554814 | 0.75 | MIF (0.39) | GAA |
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-1885704-A2 | ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF | Abbott Laboratories (US) | 2008-02-13 | — | — | EP | disclosed |
| WO-2006122250-A2 | ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF | ABBOTT LABORATORIES (US) | 2006-11-16 | — | — | WO | disclosed |