Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 6/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24750180 | 0.87 | BCHE (0.63) | BCHESLC6A4NPC1SLC22A1ALDH1A1 | |
| SCHEMBL5709461 | 0.76 | BCHE (0.52) | BCHESLC6A4 | |
| SCHEMBL6923491 | 0.76 | SLC6A4 (0.84) | SLC6A4NPC1SLC22A1ALDH1A1CHRM2 | |
| SCHEMBL13234952 | 0.76 | SLC6A4 (0.84) | SLC6A4NPC1SLC22A1ALDH1A1CHRM2 | |
| SCHEMBL5709349 | 0.75 | BCHE (0.48) | BCHESLC6A4 | |
| SCHEMBL5709423 | 0.74 | BCHE (0.47) | BCHE | |
| SCHEMBL5709526 | 0.70 | BCHE (0.47) | BCHESLC6A4 | |
| SCHEMBL5709418 | 0.68 | BCHE (0.45) | BCHESLC6A4 | |
| SCHEMBL468350 | 0.66 | BCHE (0.44) | BCHESIGMAR1 | |
| SCHEMBL468349 | 0.66 | BCHE (0.44) | BCHESIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009135646-A2 | STABLE PHARMACEUTICAL COMPOSITIONS AND THEIR PROCESSES FOR PREPARATION SUITABLE FOR INDUSTRIAL SCALE | FARMAPROJECTS, SA (ES) | 2009-11-12 | — | — | WO | disclosed |
| WO-2008142379-A2 | PROCESS FOR THE PREPARATION OF ESCITALOPRAM VIA DESMETHYLCITALOPRAM, OPTICAL RESOLUTION AND METHYLATION OF THE S-ISOMER | CIPLA LIMITED (IN) | 2008-11-27 | — | — | WO | disclosed |