Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 18/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 17/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 16/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9952569 | 0.76 | CNR1 (0.47) | TLR9TLR7TLR8 | |
| Tert-Butyl Formate SCHEMBL28096562 | 0.76 | HTR2C (0.41) | HTR2C | |
| SCHEMBL27926231 | 0.75 | TLR7 (0.36) | TLR9TLR7TLR8 | |
| Tert-Butyl Formate SCHEMBL27926207 | 0.75 | MAP2K4 (0.38) | — | |
| Tert-Butyl Formate SCHEMBL27945233 | 0.75 | TLR9 (0.42) | TLR9TLR7TLR8 | |
| Tert-Butyl Formate SCHEMBL28080012 | 0.70 | KMT2A (0.45) | HTR2C | |
| Tert-Butyl Formate SCHEMBL28014693 | 0.69 | HTR2C (0.44) | HTR2C | |
| Tert-Butyl Formate SCHEMBL27318173 | 0.69 | HTR2C (0.44) | HTR2C | |
| Tert-Butyl Formate SCHEMBL28096252 | 0.69 | HTR3A (0.53) | HTR2C | |
| Tert-Butyl Formate SCHEMBL27562128 | 0.69 | HTR2C (0.47) | HTR2C |
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-103429585-A | Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors | MERCK SERONO SA | 2013-12-04 | — | — | CN | disclosed |