Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 12/20 | 0.74 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.74 |
| ▸ | MEN1 | O00255 | 3/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.66 |
| ▸ | LMNA | P02545 | 2/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.66 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.66 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.66 |
| ▸ | EFNA1 | P20827 | 1/20 | 0.66 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.66 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.66 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.66 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.66 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.66 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.66 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.66 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.58 |
| ▸ | SLC10A2 | Q12908 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL11052811 | 0.90 | GPBAR1 (0.84) | GPBAR1NR1H4MEN1KMT2ALMNA | |
| SCHEMBL10035899 | 0.90 | GPBAR1 (0.84) | GPBAR1NR1H4MEN1KMT2ALMNA | |
| SCHEMBL18583333 | 0.90 | GPBAR1 (0.84) | GPBAR1NR1H4MEN1KMT2ALMNA | |
| SCHEMBL13015734 | 0.90 | GPBAR1 (0.84) | GPBAR1NR1H4MEN1KMT2ALMNA | |
| SCHEMBL9322047 | 0.90 | GPBAR1 (0.84) | GPBAR1NR1H4MEN1KMT2ALMNA | |
| SCHEMBL19858468 | 0.89 | GPBAR1 (0.80) | GPBAR1NR1H4MEN1KMT2ALMNA | |
| SCHEMBL19858469 | 0.89 | GPBAR1 (0.80) | GPBAR1NR1H4MEN1KMT2ALMNA | |
| SCHEMBL19864043 | 0.86 | GPBAR1 (0.79) | GPBAR1NR1H4MEN1KMT2ALMNA | |
| SCHEMBL21710942 | 0.86 | GPBAR1 (0.72) | GPBAR1NR1H4MEN1KMT2ALMNA | |
| SCHEMBL25706030 | 0.86 | GPBAR1 (0.72) | GPBAR1NR1H4MEN1KMT2ALMNA |
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-2015181275-A1 | CHOLANE DERIVATIVES FOR USE IN THE TREATMENT AND/OR PREVENTION OF FXR AND TGR5/GPBAR1 MEDIATED DISEASES | BAR PHARMACEUTICALS S.R.L. (IT) | 2015-12-03 | — | — | WO | disclosed |