Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | TLR4 | O00206 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9632244 | 1.00 | HTT (0.34) | HTTNOS3NOS1NOS2TLR4 | |
| SCHEMBL9013601 | 0.91 | CYP1A2 (0.38) | HTTNOS3NOS1NOS2TLR4 | |
| SCHEMBL9013595 | 0.91 | CYP1A2 (0.38) | HTTNOS3NOS1NOS2TLR4 | |
| SCHEMBL87369 | 0.91 | — | — | |
| SCHEMBL2888265 | 0.86 | TLR4 (0.40) | NOS3NOS1NOS2TLR4 | |
| SCHEMBL2888263 | 0.86 | TLR4 (0.40) | NOS3NOS1NOS2TLR4 | |
| SCHEMBL7639721 | 0.85 | TRIM24 (0.37) | — | |
| SCHEMBL8448821 | 0.82 | TLR4 (0.36) | HTTTLR4 | |
| Bicarbonate SCHEMBL1417514 | 0.82 | ALDH1A1 (0.37) | HTTNOS3NOS1NOS2TLR4 | |
| SCHEMBL13140763 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0316715-B1 | CYCLOHEXANE DERIVATIVES | Chisso Corporation (JP) | 1992-06-03 | — | — | EP | disclosed |
| EP-0316715-A2 | Cyclohexane derivatives | Chisso Corporation (JP) | 1989-05-24 | — | — | EP | disclosed |