Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24916731 | 0.90 | ESR1 (0.52) | ESR1ESR2SIGMAR1GRIN1GRIN2B | |
| SCHEMBL25163185 | 0.90 | ESR1 (0.52) | ESR1ESR2SIGMAR1GRIN1GRIN2B | |
| SCHEMBL28451558 | 0.87 | SLC6A4 (0.47) | ESR1ESR2SIGMAR1GRIN1GRIN2B | |
| SCHEMBL28451705 | 0.87 | OPRM1 (0.46) | ESR1ESR2OPRK1SIGMAR1GRIN1 | |
| SCHEMBL28452022 | 0.85 | ESR1 (0.45) | ESR1ESR2NR1I2MAOAPTGS2 | |
| SCHEMBL28452101 | 0.84 | MTNR1B (0.48) | ESR1ESR2SIGMAR1GRIN1GRIN2B | |
| SCHEMBL28451201 | 0.82 | GRIN2B (0.50) | ESR1ESR2SIGMAR1GRIN1GRIN2B | |
| SCHEMBL28897568 | 0.82 | DRD4 (0.47) | ESR1ESR2OPRK1DRD4 | |
| SCHEMBL28454061 | 0.82 | ESR1 (0.44) | ESR1ESR2SIGMAR1GRIN1GRIN2B | |
| SCHEMBL28448183 | 0.81 | ESR1 (0.62) | ESR1ESR2SIGMAR1GRIN1GRIN2B |
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 |