Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 11/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1096331 | 0.89 | NR1H4 (0.44) | NR1H4MAPK14RORCALDH1A1 | |
| SCHEMBL2774647 | 0.84 | NR1H4 (0.45) | NR1H4MAPK14RORCALDH1A1 | |
| SCHEMBL1095989 | 0.83 | NR1H4 (0.46) | NR1H4MAPK14 | |
| SCHEMBL26272107 | 0.81 | NR1H4 (0.43) | NR1H4MAPK14RORC | |
| SCHEMBL21340190 | 0.81 | NR1H4 (0.43) | NR1H4MAPK14RORC | |
| SCHEMBL27896017 | 0.75 | NR1H4 (0.43) | NR1H4RORC | |
| SCHEMBL28801576 | 0.72 | NR1H4 (0.38) | NR1H4MAPK14ALDH1A1 | |
| SCHEMBL2770298 | 0.72 | NR1H4 (0.56) | NR1H4MAPK14 | |
| SCHEMBL2770569 | 0.72 | NR1H4 (0.56) | NR1H4MAPK14 | |
| SCHEMBL3774518 | 0.72 | NR1H4 (0.39) | NR1H4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101743232-B | Compounds and methods for modulating fxr | LILLY CO ELI | 2013-03-06 | — | — | CN | disclosed |