Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.37 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.32 |
| ▸ | SPR | P35270 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | TYRO3 | Q06418 | 4/20 | 0.31 |
| ▸ | AXL | P30530 | 3/20 | 0.31 |
| ▸ | MERTK | Q12866 | 3/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL3710520 | 0.77 | ESR1 (0.41) | ESR1ESR2KCNH2TYRO3AXL | |
| SCHEMBL719456 | 0.76 | ESR1 (0.56) | ESR1ESR2 | |
| SCHEMBL719123 | 0.75 | DRD2 (0.44) | DRD2ALDH1A1 | |
| SCHEMBL722449 | 0.75 | ESR1 (0.48) | ESR1ESR2BTKTYRO3AXL | |
| Water SCHEMBL3709828 | 0.74 | ESR1 (0.54) | ESR1ESR2 | |
| Water SCHEMBL3709830 | 0.74 | ESR1 (0.57) | ESR1ESR2 | |
| SCHEMBL719748 | 0.73 | ESR1 (0.52) | ESR1ESR2HPGD | |
| SCHEMBL2061259 | 0.70 | ESR1 (0.55) | ESR1ESR2KDM4E | |
| SCHEMBL718874 | 0.69 | ESR1 (0.43) | ESR1ESR2KDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL718879 | 0.69 | PDGFRB (0.36) | DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010096384-A2 | FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | TARGACEPT, INC. (US) | 2010-08-26 | — | — | WO | disclosed |