Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7321561 | 0.92 | SIGMAR1 (0.51) | CYP3A4SIGMAR1OPRM1OPRL1OPRD1 | |
| SCHEMBL8865370 | 0.84 | OPRM1 (0.49) | CYP3A4SIGMAR1OPRM1OPRL1OPRD1 | |
| SCHEMBL6643609 | 0.83 | CYP3A4 (0.52) | CYP3A4SIGMAR1OPRM1OPRL1OPRD1 | |
| SCHEMBL19130584 | 0.81 | HDAC9 (0.50) | CYP3A4SIGMAR1 | |
| SCHEMBL5796055 | 0.81 | HDAC9 (0.50) | CYP3A4SIGMAR1 | |
| SCHEMBL14701153 | 0.81 | SIGMAR1 (0.50) | SIGMAR1OPRM1OPRL1KIF11GABRA1 | |
| SCHEMBL1144300 | 0.81 | CYP3A4 (0.53) | CYP3A4OPRM1OPRL1OPRD1OPRK1 | |
| SCHEMBL13672755 | 0.81 | CYP3A4 (0.53) | CYP3A4SIGMAR1OPRM1OPRL1OPRD1 | |
| SCHEMBL7885283 | 0.80 | BRD4 (0.40) | CYP3A4SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL7331117 | 0.80 | SLC6A3 (0.44) | CYP3A4OPRM1OPRL1OPRD1OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105732249-B | Aryl alcohol compound and escitalopram synthetic method | 中国科学院上海有机化学研究所 | 2019-03-15 | — | — | CN | disclosed |
| CN-105732249-A | Synthesis method of aryl alcohol compound and Escitalopram | 中国科学院上海有机化学研究所 | 2016-07-06 | — | — | CN | disclosed |