Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Escitalopram. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 15/20 | 0.94 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.94 |
| ▸ | LMNA | P02545 | 1/20 | 0.94 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.90 |
| ▸ | HTR2C | P28335 | 2/20 | 0.90 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.90 |
| ▸ | HRH1 | P35367 | 2/20 | 0.90 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.90 |
| ▸ | DRD3 | P35462 | 2/20 | 0.90 |
| ▸ | HTR2B | P41595 | 2/20 | 0.90 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.90 |
| ▸ | NPC1 | O15118 | 1/20 | 0.90 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.90 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.90 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.90 |
| ▸ | HTR1A | P08908 | 1/20 | 0.90 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.90 |
| ▸ | DRD1 | P21728 | 1/20 | 0.90 |
| ▸ | ACHE | P22303 | 1/20 | 0.90 |
| ▸ | HRH2 | P25021 | 1/20 | 0.90 |
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 | |
|---|---|---|---|---|
| Escitalopram SCHEMBL28631467 | 1.00 | SLC6A4 (0.94) | SLC6A4MAPK1LMNASLC6A2HTR2C | |
| Escitalopram SCHEMBL35123 | 0.97 | SLC6A4 (1.00) | SLC6A4MAPK1LMNASLC6A2HTR2C | |
| Escitalopram SCHEMBL27936829 | 0.97 | SLC6A4 (1.00) | SLC6A4MAPK1LMNASLC6A2HTR2C | |
| Escitalopram SCHEMBL30223023 | 0.97 | SLC6A4 (1.00) | SLC6A4MAPK1LMNASLC6A2HTR2C | |
| Citalopram SCHEMBL29604018 | 0.97 | SLC6A4 (1.00) | SLC6A4MAPK1LMNASLC6A2HTR2C | |
| Citalopram SCHEMBL2010566 | 0.97 | SLC6A4 (1.00) | SLC6A4MAPK1LMNASLC6A2HTR2C | |
| Citalopram SCHEMBL28369040 | 0.97 | SLC6A4 (1.00) | SLC6A4MAPK1LMNASLC6A2HTR2C | |
| Citalopram SCHEMBL3287650 | 0.95 | SLC6A4 (0.90) | SLC6A4MAPK1LMNASLC6A2HTR2C | |
| Escitalopram SCHEMBL34948 | 0.95 | SLC6A4 (1.00) | SLC6A4MAPK1LMNASLC6A2HTR2C | |
| (R)-Citalopram SCHEMBL13235283 | 0.95 | SLC6A4 (1.00) | SLC6A4MAPK1LMNASLC6A2HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| CN-115916197-A | Combination of non-neferone and SGLT2 inhibitor for the treatment and/or prevention of cardiovascular and/or renal diseases | 拜耳公司 | 2023-04-04 | — | — | CN | disclosed |