Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.32 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | PRKX | P51817 | 1/20 | 0.31 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27487487 | 0.79 | SLC6A2 (0.65) | SLC6A2SLC6A4SLC6A3KCNH2CHRM2 | |
| Tert-Butyl Formate SCHEMBL27489236 | 0.75 | CHRNB2 (0.48) | SLC6A2SLC6A4SLC6A3KCNH2CHRM2 | |
| Tert-Butyl Formate SCHEMBL27522719 | 0.74 | SLC6A2 (0.51) | SLC6A2SLC6A4SLC6A3KCNH2CHRM2 | |
| Tert-Butyl Formate SCHEMBL27555327 | 0.72 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3KCNH2CHRM2 | |
| SCHEMBL8489912 | 0.66 | SLC6A2 (0.84) | SLC6A2SLC6A4SLC6A3KCNH2CHRM2 | |
| Hydrochloric Acid SCHEMBL8493603 | 0.65 | SLC6A2 (0.82) | SLC6A2SLC6A4SLC6A3KCNH2CHRM2 | |
| Tert-Butyl Formate SCHEMBL27768808 | 0.65 | CHRM2 (0.35) | CHRM2CHRM1CHRNB2CHRM3CHRNA4 | |
| SCHEMBL14256232 | 0.64 | CHRNB2 (0.52) | SLC6A2SLC6A4SLC6A3KCNH2CHRM2 | |
| SCHEMBL14256241 | 0.63 | CHRM2 (0.54) | SLC6A2SLC6A4SLC6A3KCNH2CHRM2 | |
| Tert-Butyl Formate SCHEMBL27804929 | 0.63 | TDP1 (0.37) | CHRNB2CHRNA4ROCK1 |
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 |