Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 7/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13259015 | 0.84 | GPBAR1 (0.46) | GPBAR1SMN1; SMN2TP53MAPTNPSR1 | |
| SCHEMBL13259018 | 0.84 | GPBAR1 (0.67) | GPBAR1SMN1; SMN2TP53MAPTNPSR1 | |
| SCHEMBL10229744 | 0.82 | GPBAR1 (0.70) | GPBAR1SMN1; SMN2TP53MAPTNPSR1 | |
| SCHEMBL13259977 | 0.82 | GPBAR1 (0.47) | GPBAR1SMN1; SMN2TP53MAPTNPSR1 | |
| SCHEMBL13259978 | 0.81 | GPBAR1 (0.41) | GPBAR1SMN1; SMN2TP53MAPTNPSR1 | |
| SCHEMBL13259966 | 0.80 | GPBAR1 (0.59) | GPBAR1SMN1; SMN2MAPTNPSR1HTT | |
| SCHEMBL13259016 | 0.74 | SMN1; SMN2 (0.42) | GPBAR1SMN1; SMN2TP53MAPTNPSR1 | |
| SCHEMBL10229631 | 0.72 | GPBAR1 (0.53) | GPBAR1SMN1; SMN2TP53MAPTNPSR1 | |
| SCHEMBL10229758 | 0.71 | GPBAR1 (0.47) | GPBAR1SMN1; SMN2TP53MAPTNPSR1 | |
| SCHEMBL13259961 | 0.70 | GPBAR1 (0.47) | GPBAR1SMN1; SMN2MAPTHTTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |