Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | IKBKB | O14920 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13416048 | 0.81 | PROKR1 (0.47) | DRD2HTR2AHTR2CKCNH2 | |
| SCHEMBL15118589 | 0.80 | BRD4 (0.54) | BRD4HTR2APTGS2 | |
| SCHEMBL2277788 | 0.80 | KDM4E (0.47) | BRD4HTR2AHTR2CPTGS2 | |
| SCHEMBL6619723 | 0.80 | BRD4 (0.44) | BRD4PTGS2 | |
| SCHEMBL13416028 | 0.79 | KDM4E (0.49) | DRD2HTR2AHTR2CKCNH2 | |
| SCHEMBL20861913 | 0.79 | IKBKB (0.53) | DRD2HTR2AHTR2CKCNH2IKBKB | |
| SCHEMBL13416031 | 0.78 | KCNH2 (0.51) | DRD2HTR2AHTR2CKCNH2 | |
| SCHEMBL10789751 | 0.77 | PTGS2 (0.60) | BRD4CHRNB2CHRNA4PTGS2 | |
| SCHEMBL29433489 | 0.77 | PTGS2 (0.60) | BRD4CHRNB2CHRNA4PTGS2 | |
| SCHEMBL28228917 | 0.77 | PTGS2 (0.56) | BRD4CHRNB2CHRNA4PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1256326-C | Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency | HOFFMANN LA ROCHE (CH) | 2006-05-17 | — | — | CN | disclosed |
| CN-1202152-A | Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency | HOFFMANN LA ROCHE (CH) | 1998-12-16 | — | — | CN | disclosed |