Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14862611 | 0.87 | L3MBTL1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL1979145 | 0.84 | HTR2A (0.40) | BACE1CACNA1H | |
| SCHEMBL601612 | 0.80 | AKR1C3 (0.43) | BACE1 | |
| SCHEMBL603254 | 0.78 | AKR1C3 (0.40) | BACE1CACNA1H | |
| SCHEMBL603406 | 0.74 | AKR1C3 (0.57) | — | |
| SCHEMBL27826483 | 0.73 | MTNR1A (0.39) | BACE1CACNA1H | |
| SCHEMBL27745464 | 0.73 | LMNA (0.39) | BACE1 | |
| SCHEMBL601528 | 0.73 | CNR2 (0.48) | BACE1GRM4 | |
| SCHEMBL28790443 | 0.72 | BACE1 (0.42) | BACE1CACNA1HGRM4 | |
| SCHEMBL10227993 | 0.72 | AKR1C3 (0.40) | BACE1CACNA1H |
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 4 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 |
| EP-2396304-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | Exelixis, Inc. (US) | 2011-12-21 | — | — | EP | disclosed |
| WO-2011071565-A1 | TGR5 AGONISTS | EXELIXIS, INC. (US) | 2011-06-16 | — | — | WO | disclosed |
| WO-2010093845-A1 | TRIAZOLE AND IMIDAZOLE DERIVATIVES FOR USE AS TGR5 AGONISTS IN THE TREATMENT OF DIABETES AND OBESITY | EXELIXIS, INC. (US) | 2010-08-19 | — | — | WO | disclosed |