Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL5990357 | 0.75 | — | — | |
| SCHEMBL29821663 | 0.75 | — | — | |
| SCHEMBL25579080 | 0.72 | ALDH1A1 (0.38) | ALDH1A1 | |
| SCHEMBL13857000 | 0.71 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL13494564 | 0.69 | — | — | |
| SCHEMBL168774 | 0.69 | TSHR (0.69) | TSHRALDH1A1 | |
| SCHEMBL14113732 | 0.69 | TSHR (0.69) | TSHRALDH1A1 | |
| SCHEMBL10109555 | 0.68 | ALDH1A1 (0.43) | ALDH1A1 | |
| SCHEMBL19608947 | 0.67 | ALDH1A1 (0.55) | ALDH1A1 | |
| SCHEMBL19721696 | 0.67 | TSHR (0.37) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2319859-A2 | Spatially-defined macrocyclic compounds useful for drug discovery | Tranzyme Pharma Inc. (CA) | 2011-05-11 | — | — | EP | disclosed |