Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6757877 | 0.83 | CYP2A6 (0.44) | ESR2CYP2A6 | |
| SCHEMBL3951368 | 0.83 | ESR2 (0.44) | ESR2PTPN5CYP2A6 | |
| SCHEMBL1302811 | 0.82 | CYP2A6 (0.48) | ESR2CYP2A6 | |
| SCHEMBL6517747 | 0.81 | ESR2 (0.42) | ESR2PTPN5CYP2A6 | |
| SCHEMBL29159006 | 0.80 | CYP2A6 (0.46) | ESR2CYP2A6 | |
| SCHEMBL7932862 | 0.79 | ESR2 (0.41) | ESR2 | |
| SCHEMBL29588993 | 0.79 | CYP3A4 (0.44) | ESR2 | |
| SCHEMBL651587 | 0.79 | ALDH1A1 (0.44) | ESR2PTPN5CYP2A6 | |
| SCHEMBL4373221 | 0.79 | ESR2 (0.66) | ESR2PTPN5 | |
| SCHEMBL27762468 | 0.79 | CYP1A2 (0.44) | ESR2CYP2A6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112079856-A | 4-iodophenyl substituted carborane derivative and preparation method thereof | 盐城工学院 | 2020-12-15 | — | — | CN | disclosed |
| US-20050101063-A1 | Three-terminal field-controlled molecular devices | TOUR JAMES M (US) | 2005-05-12 | — | — | US | disclosed |
| WO-2002035580-A2 | THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES | MOLECULAR ELECTRONICS CORPORATION (US) | 2002-05-02 | — | — | WO | disclosed |