Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 4/20 | 0.32 |
| ▸ | NSD2 | O96028 | 1/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.30 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27702058 | 0.82 | AOC3 (0.36) | EPHX2NSD2MCHR1CYP2C9CYP2C19 | |
| SCHEMBL3986098 | 0.82 | AOC3 (0.36) | EPHX2NSD2MCHR1CYP2C9CYP2C19 | |
| SCHEMBL27816963 | 0.82 | AOC3 (0.36) | EPHX2NSD2MCHR1CYP2C9CYP2C19 | |
| Bromide SCHEMBL4734510 | 0.81 | AOC3 (0.36) | EPHX2NSD2MCHR1CYP2C9CYP2C19 | |
| SCHEMBL1363412 | 0.69 | SLC6A4 (0.36) | CYP2C9CYP2C19 | |
| SCHEMBL1363413 | 0.69 | SLC6A4 (0.36) | CYP2C9CYP2C19 | |
| SCHEMBL5546003 | 0.69 | NPC1 (0.37) | EPHX2NSD2CYP2C9CYP2C19CYP2J2 | |
| SCHEMBL1361412 | 0.68 | CXCR2 (0.34) | NSD2CXCR2CYP2C9TBXA2R | |
| SCHEMBL1361410 | 0.67 | NSD2 (0.31) | NSD2CXCR2CYP2C9TBXA2R | |
| SCHEMBL6580186 | 0.66 | AOC3 (0.36) | AOC3 |
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-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 |