Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 5/20 | 0.84 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.84 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.84 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | MAOA | P21397 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | F7 | P08709 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | F3 | P13726 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.45 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.45 |
| ▸ | ITGAL | P20701 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Ethane SCHEMBL27630420 | 0.96 | AHR (0.91) | AHRNR4A2CYP2A6NPC1MAOA | |
| SCHEMBL74304 | 0.92 | AHR (1.00) | AHRNR4A2CYP2A6NPC1MAOA | |
| Methane SCHEMBL27911670 | 0.90 | AHR (0.95) | AHRNR4A2CYP2A6NPC1MAOA | |
| SCHEMBL27718483 | 0.90 | AHR (0.95) | AHRNR4A2CYP2A6NPC1MAOA | |
| SCHEMBL27701610 | 0.90 | AHR (0.95) | AHRNR4A2CYP2A6NPC1MAOA | |
| Toluene SCHEMBL28036262 | 0.89 | AHR (0.72) | AHRNR4A2CYP2A6NPC1MAOA | |
| Biphenyl SCHEMBL28811949 | 0.89 | AHR (0.78) | AHRNR4A2CYP2A6NPC1MAOA | |
| Acetic Acid SCHEMBL27942661 | 0.87 | AHR (0.75) | AHRNR4A2CYP2A6NPC1MAOA | |
| Indole SCHEMBL28308910 | 0.86 | AHR (0.81) | AHRNR4A2CYP2A6NPC1MAOA | |
| Cyanide SCHEMBL31107451 | 0.86 | AHR (0.88) | AHRNR4A2CYP2A6NPC1MAOA |
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-105130723-B | Bisindole methane derivative promotes the method that CuCl is catalyzed Sonogashira cross-coupling reactions | 陕西师范大学 | 2017-04-05 | — | — | CN | disclosed |