Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 19/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2007404 | 0.87 | GPBAR1 (0.45) | GPBAR1NR1H4 | |
| SCHEMBL15380665 | 0.87 | GPBAR1 (0.47) | GPBAR1 | |
| SCHEMBL15380384 | 0.80 | GPBAR1 (0.56) | GPBAR1NR1H4 | |
| SCHEMBL2007401 | 0.79 | GPBAR1 (0.49) | GPBAR1 | |
| SCHEMBL15380749 | 0.78 | GPBAR1 (0.56) | GPBAR1NR1H4 | |
| SCHEMBL13259879 | 0.77 | GPBAR1 (0.48) | GPBAR1NR1H4 | |
| SCHEMBL602856 | 0.77 | GPBAR1 (0.59) | GPBAR1NR1H4 | |
| Hydrochloric Acid SCHEMBL15380557 | 0.77 | GPBAR1 (0.55) | GPBAR1NR1H4 | |
| SCHEMBL606168 | 0.76 | GPBAR1 (0.54) | GPBAR1 | |
| SCHEMBL605231 | 0.76 | GPBAR1 (0.51) | GPBAR1 |
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 |