Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.45 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.45 |
| ▸ | KDM5A | P29375 | 5/20 | 0.43 |
| ▸ | KDM5B | Q9UGL1 | 5/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | KDM6B | O15054 | 1/20 | 0.38 |
| ▸ | KDM5C | P41229 | 1/20 | 0.38 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.38 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.38 |
| ▸ | ACLY | P53396 | 1/20 | 0.38 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17843286 | 0.90 | HRH3 (0.43) | NR1H4HSD17B13KDM5AKDM5BHRH3 | |
| SCHEMBL29139868 | 0.88 | NR1H4 (0.44) | NR1H4HSD17B13KDM5AKDM5BPIK3CA | |
| SCHEMBL30775159 | 0.87 | NR1H4 (0.53) | NR1H4HSD17B13KDM5AKDM5BPIK3CA | |
| SCHEMBL29139872 | 0.87 | NR1H4 (0.53) | NR1H4HSD17B13KDM5AKDM5BPIK3CA | |
| Nitrous Acid SCHEMBL29139870 | 0.83 | NR1H4 (0.51) | NR1H4HSD17B13KDM5AKDM5BPIK3CA | |
| SCHEMBL19202590 | 0.83 | NR1H4 (0.46) | NR1H4HSD17B13KDM5AKDM5BHRH3 | |
| SCHEMBL19689507 | 0.78 | NR1H4 (0.51) | NR1H4 | |
| SCHEMBL30775162 | 0.78 | NR1H4 (0.51) | NR1H4 | |
| SCHEMBL17843228 | 0.78 | CRBN (0.52) | NR1H4HRH3 | |
| SCHEMBL19689487 | 0.76 | MALT1 (0.40) | NR1H4HSD17B13HRH3 |
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 |