Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28922639 | 0.86 | ALDH1A1 (0.43) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL3823743 | 0.85 | CA2 (0.53) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL16214730 | 0.85 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL3247583 | 0.84 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| Hydrochloric Acid SCHEMBL29705115 | 0.84 | CA2 (0.51) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL9097530 | 0.83 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL29650322 | 0.83 | CETP (0.51) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL29650273 | 0.83 | CETP (0.51) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL28547677 | 0.83 | CETP (0.51) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| Hydrochloric Acid SCHEMBL4060020 | 0.83 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 |
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 |