Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.71 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.71 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.71 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.71 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.71 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.46 |
| ▸ | DUSP3 | P51452 | 8/20 | 0.44 |
| ▸ | CDC25A | P30304 | 6/20 | 0.44 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 5/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.39 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.38 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.38 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.38 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.38 |
| ▸ | ATP1A2 | P50993 | 1/20 | 0.38 |
| ▸ | ATP1B3 | P54709 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6784018 | 1.00 | CHRNB2 (0.71) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| SCHEMBL29453473 | 1.00 | CHRNB2 (0.71) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| SCHEMBL13692692 | 1.00 | CHRNB2 (0.71) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| Polygodial SCHEMBL258239 | 0.83 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| Epipolygodial SCHEMBL21322435 | 0.83 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| Epipolygodial SCHEMBL13855685 | 0.83 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| Epipolygodial SCHEMBL29370854 | 0.83 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| Polygodial SCHEMBL21633831 | 0.83 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| SCHEMBL13903721 | 0.81 | CHRNB2 (0.66) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 | |
| SCHEMBL18583216 | 0.76 | CHRNB2 (0.70) | CHRNB2CHRNB4CHRNA3CHRNA4TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6727277-B1 | BENZO(A)XANTHENE DERIVATIVES; LYMPHATIC ABSORPTION INTENSIFIERS 3-HYDROXY-3-METHYLGLUTARYL COENZYME A REDUCTASE INHIBITORS | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION | 2004-04-27 | — | — | US | disclosed |