Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6451204 | 1.00 | TLR4 (0.32) | TLR4CHRM2CHRM5CHRM1CHRM3 | |
| SCHEMBL5683928 | 0.94 | — | — | |
| SCHEMBL5683925 | 0.94 | — | — | |
| SCHEMBL8095326 | 0.94 | CHRM2 (0.32) | TLR4CHRM2CHRM5CHRM1CHRM3 | |
| SCHEMBL8906439 | 0.94 | CHRM2 (0.32) | TLR4CHRM2CHRM5CHRM1CHRM3 | |
| SCHEMBL8095334 | 0.94 | CHRM2 (0.32) | TLR4CHRM2CHRM5CHRM1CHRM3 | |
| SCHEMBL8747891 | 0.91 | CHRM2 (0.32) | CHRM2CHRM5CHRM1CHRM3 | |
| SCHEMBL6463711 | 0.88 | DBH (0.34) | TLR4 | |
| SCHEMBL6463714 | 0.88 | DBH (0.34) | TLR4 | |
| SCHEMBL6452121 | 0.84 | HCRTR1 (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6913797-B1 | Decahydronaphthalene derivative | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2005-07-05 | — | — | US | disclosed |
| EP-1108700-A1 | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-20 | — | — | EP | disclosed |