Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 12/20 | 0.67 |
| ▸ | CHRNA3 | P32297 | 12/20 | 0.67 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | THRB | P10828 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17398232 | 0.86 | CHRNB4 (0.90) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL6558703 | 0.86 | CHRNB4 (0.90) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL2807123 | 0.86 | CHRNB4 (0.90) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL433117 | 0.86 | CHRNB4 (0.90) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL165812 | 0.84 | CHRNB4 (0.87) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL23054928 | 0.83 | CHRNB4 (0.50) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL27495537 | 0.82 | CHRNB4 (0.65) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL13114824 | 0.82 | CHRNB4 (0.57) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL9583820 | 0.82 | CHRNB4 (0.57) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 | |
| SCHEMBL2806024 | 0.82 | CHRNB4 (0.57) | CHRNB4CHRNA3CHRNA7ALDH1A1CYP1A2 |
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-2017099708-A1 | CURING AGENTS FOR FLUORINATED ELASTOMERS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-06-15 | — | — | WO | disclosed |