Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 2/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 2/20 | 0.32 |
| ▸ | GABBR1 | Q9UBS5 | 2/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL13520576 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL28545283 | 0.74 | — | — | |
| SCHEMBL28561265 | 0.70 | — | — | |
| SCHEMBL2156203 | 0.69 | — | — | |
| SCHEMBL788973 | 0.68 | TRPV1 (0.30) | TRPV1TRPA1 | |
| SCHEMBL8745700 | 0.67 | — | — | |
| SCHEMBL25975423 | 0.67 | — | — | |
| SCHEMBL725910 | 0.66 | — | — | |
| SCHEMBL648050 | 0.66 | — | — | |
| SCHEMBL14507396 | 0.65 | — | — |
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-7208448-B2 | In an amine or nitrile embedded passivated hydrogenation catalyst | AKZO NOBEL N.V. (NL) | 2007-04-24 | — | — | US | disclosed |
| US-20050124833-A1 | In an amine or nitrile embedded passivated hydrogenation catalyst | AKZO NOBEL N.V. (NL) | 2005-06-09 | — | — | US | disclosed |