Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 8/20 | 0.80 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.44 |
| ▸ | RPS6KA1 | Q15418 | 4/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL880255 | 0.89 | GPBAR1 (1.00) | GPBAR1TSHRTP53CYP3A4NPSR1 | |
| SCHEMBL17478214 | 0.78 | GPBAR1 (0.80) | GPBAR1TSHRTP53 | |
| SCHEMBL3895930 | 0.78 | GPBAR1 (0.67) | GPBAR1TSHRTP53ROCK1RPS6KA1 | |
| SCHEMBL17478238 | 0.77 | GPBAR1 (0.89) | GPBAR1TP53 | |
| SCHEMBL17478025 | 0.77 | GPBAR1 (0.83) | GPBAR1TSHRTP53 | |
| SCHEMBL17478043 | 0.76 | GPBAR1 (1.00) | GPBAR1TSHRTP53 | |
| SCHEMBL3887529 | 0.74 | HTT (0.73) | GPBAR1TSHRTP53ROCK1RPS6KA1 | |
| SCHEMBL17478107 | 0.74 | GPBAR1 (1.00) | GPBAR1TP53 | |
| SCHEMBL17478048 | 0.74 | GPBAR1 (1.00) | GPBAR1TP53 | |
| SCHEMBL17478212 | 0.74 | GPBAR1 (0.82) | GPBAR1TP53 |
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-2433634-A2 | Compounds, compositions and methods of inhibiting a-synuclein toxicity | The Whitehead Institute for Biomedical Research (US) | 2012-03-28 | — | — | EP | disclosed |