Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.72 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| 1-Phenethylpiperidine SCHEMBL466935 | 0.87 | SIGMAR1 (0.82) | SIGMAR1SLC6A3KMT2AMEN1KCNH2 | |
| 1-Phenethylpiperidine SCHEMBL4054824 | 0.85 | SIGMAR1 (1.00) | SIGMAR1SLC6A3HRH3ACHELTA4H | |
| SCHEMBL11589061 | 0.85 | SIGMAR1 (1.00) | SIGMAR1SLC6A3HRH3ACHELTA4H | |
| 1-Phenethylpiperidine SCHEMBL917609 | 0.85 | SIGMAR1 (1.00) | SIGMAR1SLC6A3HRH3ACHELTA4H | |
| SCHEMBL11922748 | 0.85 | SIGMAR1 (1.00) | SIGMAR1SLC6A3HRH3ACHELTA4H | |
| Trifluoroacetic Acid SCHEMBL2269036 | 0.84 | ALDH1A1 (0.57) | SIGMAR1KMT2AMEN1HRH3ALDH1A1 | |
| 1-Phenethylpiperidine SCHEMBL7524827 | 0.83 | SIGMAR1 (0.96) | SIGMAR1SLC6A3HRH3ACHELTA4H | |
| 1-Phenethylpiperidine SCHEMBL11507835 | 0.83 | SIGMAR1 (0.96) | SIGMAR1SLC6A3HRH3ACHELTA4H | |
| 1-Phenethylpiperidine SCHEMBL11404041 | 0.83 | SIGMAR1 (0.96) | SIGMAR1SLC6A3HRH3ACHELTA4H | |
| 1-Phenethylpiperidine SCHEMBL31229056 | 0.83 | SIGMAR1 (0.96) | SIGMAR1SLC6A3HRH3ACHELTA4H |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2563127-A1 | PROLYLCARBOXYPEPTIDASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-03-06 | — | — | EP | disclosed |