Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.33 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | VDR | P11473 | 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 | |
|---|---|---|---|---|
| SCHEMBL28039390 | 0.95 | CYP2A6 (0.38) | CYP2A6CYP1A2PTPN1CYP3A4CYP2D6 | |
| SCHEMBL28039078 | 0.90 | CYP2A6 (0.41) | CYP2A6CYP1A2PTPN1CYP3A4CYP2D6 | |
| SCHEMBL28039047 | 0.89 | ESR1 (0.41) | CYP2A6CYP1A2PTPN1ESR1ESR2 | |
| SCHEMBL28039080 | 0.82 | ESR1 (0.46) | CYP2A6CYP1A2PTPN1CYP3A4CYP2D6 | |
| SCHEMBL28039077 | 0.81 | SLC6A2 (0.38) | CYP2A6CYP1A2PTPN1CYP3A4CYP2D6 | |
| SCHEMBL28039398 | 0.80 | ESR1 (0.44) | CYP2A6CYP1A2PTPN1CYP3A4CYP2D6 | |
| SCHEMBL28039349 | 0.79 | NPC1 (0.39) | CYP2A6CYP1A2PTPN1SLC6A2SLC6A4 | |
| SCHEMBL28039059 | 0.78 | ESR1 (0.43) | CYP2A6CYP1A2PTPN1CYP3A4CYP2D6 | |
| SCHEMBL6185428 | 0.78 | PTPN1 (0.45) | CYP2A6CYP1A2PTPN1CYP3A4CYP2D6 | |
| SCHEMBL28039378 | 0.77 | SLC6A2 (0.38) | CYP2A6CYP1A2PTPN1CYP3A4CYP2D6 |
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-104955332-A | Method for controlling arthropod pest | SUMITOMO CHEMICAL CO | 2015-09-30 | — | — | CN | disclosed |