Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 12/20 | 0.67 |
| ▸ | TLR2 | O60603 | 12/20 | 0.67 |
| ▸ | MAOA | P21397 | 10/20 | 0.62 |
| ▸ | MAOB | P27338 | 10/20 | 0.62 |
| ▸ | FBP1 | P09467 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL1967341 | 1.00 | TLR4 (0.67) | TLR4TLR2MAOAMAOBFBP1 | |
| SCHEMBL4619911 | 0.83 | TLR4 (0.70) | TLR4TLR2MAOAMAOBFBP1 | |
| SCHEMBL4619916 | 0.83 | TLR4 (0.70) | TLR4TLR2MAOAMAOBFBP1 | |
| SCHEMBL510208 | 0.81 | TLR4 (1.00) | TLR4TLR2MAOAMAOBFBP1 | |
| SCHEMBL510207 | 0.81 | TLR4 (1.00) | TLR4TLR2MAOAMAOBFBP1 | |
| SCHEMBL2539612 | 0.80 | MAOA (0.70) | TLR4TLR2MAOAMAOBFBP1 | |
| SCHEMBL5720900 | 0.78 | TLR4 (0.81) | TLR4TLR2MAOAMAOBFBP1 | |
| SCHEMBL5720904 | 0.78 | TLR4 (0.81) | TLR4TLR2MAOAMAOBFBP1 | |
| SCHEMBL2539613 | 0.78 | FBP1 (0.62) | TLR4TLR2MAOAMAOBFBP1 | |
| SCHEMBL510222 | 0.77 | MAOA (1.00) | TLR4TLR2MAOAMAOB |
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-2334643-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | Actelion Pharmaceuticals Ltd. (CH) | 2011-06-22 | — | — | EP | disclosed |
| WO-2010044054-A1 | PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-04-22 | — | — | WO | disclosed |