Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28451705 | 0.88 | OPRM1 (0.46) | ESR1ESR2MTNR1BGRIN1GRIN2B | |
| SCHEMBL25163185 | 0.86 | ESR1 (0.52) | ESR1ESR2MTNR1BGRIN1GRIN2B | |
| SCHEMBL24916731 | 0.86 | ESR1 (0.52) | ESR1ESR2MTNR1BGRIN1GRIN2B | |
| SCHEMBL28451211 | 0.82 | MTNR1B (0.41) | ESR1ESR2MTNR1BGRIN1GRIN2B | |
| SCHEMBL28451702 | 0.81 | ESR1 (0.47) | ESR1ESR2MTNR1BGRIN1GRIN2B | |
| SCHEMBL28451558 | 0.81 | SLC6A4 (0.47) | ESR1ESR2MTNR1BGRIN1GRIN2B | |
| SCHEMBL28457249 | 0.80 | ESR1 (0.47) | ESR1ESR2MTNR1BGRIN1GRIN2B | |
| SCHEMBL28452022 | 0.79 | ESR1 (0.45) | ESR1ESR2MTNR1BGRIN1GRIN2B | |
| SCHEMBL28451201 | 0.79 | GRIN2B (0.50) | ESR1ESR2GRIN1GRIN2BSIGMAR1 | |
| SCHEMBL12090226 | 0.78 | SLC6A4 (0.54) | MTNR1BGRIN1GRIN2BSIGMAR1SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111592563-A | Compound containing carbon-silicon bond and application thereof | 中国科学院上海有机化学研究所 | 2020-08-28 | — | — | CN | disclosed |