Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 3/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | F7 | P08709 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | F3 | P13726 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.43 |
| ▸ | GABRD | O14764 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL10464922 | 0.89 | USP2 (0.43) | ACHEAHRNR4A2CYP2A6F7 | |
| SCHEMBL30882 | 0.85 | AHR (0.56) | BRD4AHRNR4A2CYP2A6F7 | |
| SCHEMBL30138435 | 0.85 | AHR (0.56) | BRD4AHRNR4A2CYP2A6F7 | |
| Methane SCHEMBL27911673 | 0.83 | AHR (0.54) | BRD4AHRNR4A2CYP2A6F7 | |
| Cyanide SCHEMBL31107538 | 0.80 | AHR (0.50) | BRD4AHRNR4A2CYP2A6F7 | |
| SCHEMBL17291794 | 0.78 | MEN1 (0.48) | AHRNR4A2CYP2A6F7LTA4H | |
| SCHEMBL130519 | 0.77 | AHR (0.56) | AHRNR4A2CYP2A6F7LTA4H | |
| SCHEMBL29560117 | 0.77 | AHR (0.56) | AHRNR4A2CYP2A6F7LTA4H | |
| 4-Chloroaniline SCHEMBL11084468 | 0.76 | AHR (0.72) | AHRNR4A2CYP2A6F7LTA4H | |
| Iodide SCHEMBL7361153 | 0.75 | AHR (0.54) | AHRNR4A2CYP2A6F7LTA4H |
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-4436917-A | REACTION OF ANILINE AND GLYCOL, CATALYST | MITSUI TOATSU CHEMICALS, INC. (JP) | 1984-03-13 | — | — | US | disclosed |