Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BDKRB2 | P30411 | 2/20 | 0.32 |
| ▸ | HTR7 | P34969 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20686651 | 0.76 | NISCH (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL22038196 | 0.75 | HTR7 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL19909901 | 0.75 | AOC3 (0.31) | CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL20195405 | 0.74 | NPSR1 (0.34) | CYP3A4BDKRB2 | |
| SCHEMBL22037695 | 0.74 | HTR7 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Methane SCHEMBL23056921 | 0.73 | AOC3 (0.30) | — | |
| SCHEMBL18831449 | 0.73 | SLC22A12 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20845195 | 0.73 | SLC22A12 (0.34) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL20195485 | 0.73 | CYP3A4 (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL22038780 | 0.73 | RXRA (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3029035-B1 | TETRAZOLINONE COMPOUND, AND USE THEREOF | SUMITOMO CHEMICAL CO (JP) | 2018-05-30 | — | — | EP | disclosed |