Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19202535 | 0.89 | NR1H4 (0.44) | NR1H4CA12CA1CA9PDK2 | |
| SCHEMBL19202532 | 0.86 | NR1H4 (0.47) | NR1H4 | |
| SCHEMBL19202588 | 0.76 | CA12 (0.39) | NR1H4CA12CA1CA9PDK2 | |
| SCHEMBL19202181 | 0.73 | NR1H4 (0.75) | NR1H4 | |
| SCHEMBL19698945 | 0.72 | CA12 (0.38) | CA12CA1CA9 | |
| SCHEMBL19689521 | 0.71 | CA12 (0.37) | CA12CA1CA9 | |
| SCHEMBL30775155 | 0.71 | CA12 (0.37) | CA12CA1CA9 | |
| SCHEMBL22320341 | 0.71 | CA12 (0.39) | NR1H4CA12CA1CA9 | |
| SCHEMBL29736070 | 0.71 | MET (0.37) | CA12CA1CA9PDK2 | |
| SCHEMBL19689482 | 0.71 | MET (0.37) | CA12CA1CA9PDK2 |
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-2017128896-A1 | FXR AGONIST AND PREPARATION METHOD AND USE THEREOF | 江苏豪森药业集团有限公司 | 2017-08-03 | — | — | WO | disclosed |