Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 4/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 2/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.31 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | DRD1 | P21728 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27836479 | 1.00 | EPHX2 (0.38) | EPHX2CYP19A1CYP2C9CYP2C19CYP2J2 | |
| SCHEMBL27836477 | 1.00 | EPHX2 (0.38) | EPHX2CYP19A1CYP2C9CYP2C19CYP2J2 | |
| SCHEMBL3986098 | 0.80 | AOC3 (0.36) | EPHX2CYP19A1CYP2C9CYP2C19CYP2J2 | |
| SCHEMBL27816963 | 0.80 | AOC3 (0.36) | EPHX2CYP19A1CYP2C9CYP2C19CYP2J2 | |
| SCHEMBL27702058 | 0.80 | AOC3 (0.36) | EPHX2CYP19A1CYP2C9CYP2C19CYP2J2 | |
| Bromide SCHEMBL4734510 | 0.79 | AOC3 (0.36) | EPHX2CYP19A1CYP2C9CYP2C19CYP2J2 | |
| SCHEMBL907710 | 0.78 | EPHX2 (0.38) | EPHX2CYP19A1AOC3SCN9APTGDR2 | |
| SCHEMBL8203438 | 0.71 | SLC6A4 (0.41) | HTR1ADRD1HTR2AHRH1OPRM1 | |
| SCHEMBL5971914 | 0.70 | NSD2 (0.34) | EPHX2CYP2C9CYP2C19CYP2J2AOC3 | |
| SCHEMBL5972626 | 0.70 | NSD2 (0.34) | EPHX2CYP2C9CYP2C19CYP2J2AOC3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2360150-A1 | Method for the separation of intermediates which may be used for the preparation of escitalopram | H. Lundbeck A/S (DK) | 2011-08-24 | — | — | EP | disclosed |
| EP-2061753-A1 | METHOD FOR MANUFACTURE OF ESCITALOPRAM | H.Lundbeck A/S (DK) | 2009-05-27 | — | — | EP | disclosed |
| WO-2009033488-A1 | METHOD FOR MANUFACTURE OF ESCITALOPRAM | H. LUNDBECK A/S (DK) | 2009-03-19 | — | — | WO | disclosed |
| WO-2008059514-A2 | PROCESS FOR PREPARING ESCITALOPRAM | CADILA HEALTHCARE LIMITED (IN) | 2008-05-22 | — | — | WO | disclosed |