Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | TDO2 | P48775 | 2/20 | 0.33 |
| ▸ | IDO2 | Q6ZQW0 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22162241 | 0.88 | NISCH (0.44) | NISCHCASP1ADRB2ADRB1AOC3 | |
| SCHEMBL19003445 | 0.85 | NISCH (0.42) | NISCHCASP1ADRB2ADRB1AOC3 | |
| SCHEMBL8602132 | 0.85 | NISCH (0.42) | NISCHCASP1ADRB2ADRB1AOC3 | |
| SCHEMBL6683001 | 0.83 | NISCH (0.41) | NISCHCASP1ADRB2ADRB1AOC3 | |
| SCHEMBL6685350 | 0.81 | NISCH (0.40) | NISCHCASP1ADRB2ADRB1AOC3 | |
| SCHEMBL22931251 | 0.81 | CYSLTR2 (0.40) | NISCHCASP1ADRB2ADRB1AOC3 | |
| SCHEMBL11854715 | 0.81 | ADRB2 (0.41) | NISCHCASP1ADRB2ADRB1AOC3 | |
| SCHEMBL19003638 | 0.80 | CYSLTR2 (0.42) | NISCHCASP1ADRB2ADRB1AOC3 | |
| SCHEMBL8601500 | 0.78 | NISCH (0.40) | NISCHCASP1ADRB2ADRB1AOC3 | |
| SCHEMBL9155160 | 0.77 | CYSLTR2 (0.38) | NISCHCASP1ADRB2ADRB1AOC3 |
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-5767286-A | REACTING A TETRAZOLINONE WITH A CARBAMOYL CHLORIDE IN THE PRESENCE OF 4-DIMETHYLAMINOPYRIDINE | NIHON BAYER AGROCHEM K. K. (JP) | 1998-06-16 | — | — | US | disclosed |