Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.32 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7396264 | 0.77 | CYP19A1 (0.39) | TSHRALDH1A1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL16884620 | 0.77 | GABRA1 (0.38) | TSHRALDH1A1MAPTSMN1; SMN2CYP2C9 | |
| SCHEMBL16957400 | 0.75 | S1PR1 (0.42) | TSHRCYP2C9S1PR1 | |
| SCHEMBL3462088 | 0.75 | FFAR1 (0.34) | TSHRALDH1A1SMN1; SMN2KDM4ECA1 | |
| SCHEMBL6089703 | 0.75 | CYP3A4 (0.42) | TSHRALDH1A1MAPTKDM4ECYP1A2 | |
| SCHEMBL28046905 | 0.74 | TSHR (0.38) | TSHRALDH1A1SMN1; SMN2CYP2C9S1PR1 | |
| SCHEMBL15388928 | 0.73 | ESR2 (0.42) | TSHRALDH1A1KDM4ECA1CA2 | |
| SCHEMBL451478 | 0.73 | CYP19A1 (0.41) | TSHRALDH1A1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL2134106 | 0.73 | PDCD1 (0.48) | TSHRALDH1A1MAPTSMN1; SMN2CA1 | |
| SCHEMBL30496165 | 0.72 | ALDH1A1 (0.49) | TSHRALDH1A1MAPTSMN1; SMN2CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1893766-A1 | CHEMOENZYMATIC PROCESS FOR THE SYNTHESIS OF ESCITALOPRAM | Adorkem Technology SpA (IT) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006136521-A1 | CHEMOENZYMATIC PROCESS FOR THE SYNTHESIS OF ESCITALOPRAM | ADORKEM TECHNOLOGY SPA (IT) | 2006-12-28 | — | — | WO | disclosed |