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 | |
|---|---|---|---|---|
| SCHEMBL15380334 | 0.96 | GPBAR1 (0.58) | GPBAR1NR1H4 | |
| SCHEMBL1982223 | 0.87 | GPBAR1 (0.61) | GPBAR1NR1H4 | |
| Hydrochloric Acid SCHEMBL1983239 | 0.87 | GPBAR1 (0.60) | GPBAR1NR1H4 | |
| Hydrochloric Acid SCHEMBL1983237 | 0.87 | GPBAR1 (0.63) | GPBAR1NR1H4 | |
| Trifluoroacetic Acid SCHEMBL15380568 | 0.86 | GPBAR1 (0.59) | GPBAR1NR1H4 | |
| Trifluoroacetic Acid SCHEMBL15380416 | 0.86 | GPBAR1 (0.57) | GPBAR1 | |
| Trifluoroacetic Acid SCHEMBL15380717 | 0.84 | GPBAR1 (0.57) | GPBAR1 | |
| Trifluoroacetic Acid SCHEMBL15380907 | 0.84 | GPBAR1 (0.56) | GPBAR1 | |
| Trifluoroacetic Acid SCHEMBL15380525 | 0.84 | GPBAR1 (0.69) | GPBAR1 | |
| SCHEMBL1982118 | 0.83 | GPBAR1 (0.61) | GPBAR1NR1H4 |
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-2509960-A1 | TGR5 AGONISTS | Exelixis, Inc. (US) | 2012-10-17 | — | — | EP | disclosed |
| WO-2011071565-A1 | TGR5 AGONISTS | EXELIXIS, INC. (US) | 2011-06-16 | — | — | WO | disclosed |