Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19202532 | 0.90 | NR1H4 (0.47) | NR1H4CYP3A4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL19202587 | 0.89 | NR1H4 (0.38) | NR1H4CA1CA12CA9PDK2 | |
| SCHEMBL19202590 | 0.76 | NR1H4 (0.46) | NR1H4 | |
| SCHEMBL17843256 | 0.74 | PIK3CA (0.39) | NR1H4SMN1; SMN2ALDH1A1MAPK1 | |
| SCHEMBL19698945 | 0.74 | CA12 (0.38) | CA1CA12CA9GRIN2B | |
| SCHEMBL30775168 | 0.73 | NR1H4 (0.51) | NR1H4 | |
| SCHEMBL19689515 | 0.73 | NR1H4 (0.51) | NR1H4 | |
| SCHEMBL8906116 | 0.73 | CA1 (0.56) | RAB9AMAPTCA1CA12CA9 | |
| SCHEMBL19689521 | 0.73 | CA12 (0.37) | CA1CA12CA9 | |
| SCHEMBL30775155 | 0.73 | CA12 (0.37) | CA1CA12CA9 |
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 |