Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 13/20 | 1.00 |
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.87 |
| ▸ | MEN1 | O00255 | 2/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.76 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.76 |
| ▸ | SLC10A2 | Q12908 | 2/20 | 0.76 |
| ▸ | LMNA | P02545 | 1/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.76 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.76 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.76 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.76 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.76 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.76 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.76 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL19065001 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL17303225 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL17303266 | 1.00 | GPBAR1 (1.00) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL15973311 | 0.93 | GPBAR1 (1.00) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL17641306 | 0.93 | GPBAR1 (1.00) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL29417943 | 0.93 | GPBAR1 (1.00) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL28019894 | 0.93 | GPBAR1 (1.00) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL15292919 | 0.93 | GPBAR1 (1.00) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL15292921 | 0.93 | GPBAR1 (1.00) | GPBAR1NR1H4MEN1KMT2AABCB11 | |
| SCHEMBL9321093 | 0.93 | GPBAR1 (1.00) | GPBAR1NR1H4MEN1KMT2AABCB11 |
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 |