Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | KCNJ1 | P48048 | 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 | |
|---|---|---|---|---|
| SCHEMBL12200985 | 0.74 | HCAR2 (0.46) | HCAR2 | |
| SCHEMBL14714005 | 0.74 | MEN1 (0.30) | — | |
| SCHEMBL173914 | 0.74 | HCAR2 (0.47) | HCAR2 | |
| SCHEMBL28079412 | 0.73 | HCAR2 (0.35) | HCAR2 | |
| SCHEMBL16622728 | 0.71 | LMNA (0.35) | — | |
| SCHEMBL31319635 | 0.71 | HCAR2 (0.49) | HCAR2 | |
| SCHEMBL28262261 | 0.71 | — | — | |
| SCHEMBL28038521 | 0.71 | HPGD (0.33) | — | |
| SCHEMBL27683382 | 0.70 | CYP1A2 (0.38) | HCAR2 | |
| Butyl Formate SCHEMBL28320805 | 0.70 | NPC1 (0.33) | — |
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-105658640-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |