Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 10/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.32 |
| ▸ | CCNK | O75909 | 1/20 | 0.31 |
| ▸ | CCND3 | P30281 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | CDK7 | P50613 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | CCNH | P51946 | 1/20 | 0.31 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.31 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL1096680 | 0.89 | NR1H4 (0.45) | NR1H4GABRB3GABRA2GABRB2CCNK | |
| SCHEMBL498069 | 0.87 | NR1H4 (0.45) | NR1H4GABRB3GABRA2GABRB2CCNK | |
| SCHEMBL12188553 | 0.84 | NR1H4 (0.45) | NR1H4GABRB3GABRA2GABRB2CCNK | |
| SCHEMBL498227 | 0.83 | NR1H4 (0.47) | NR1H4GABRB3GABRA2GABRB2CCNK | |
| SCHEMBL12878994 | 0.76 | NR1H4 (0.39) | NR1H4GABRB3GABRA2GABRB2CCNK | |
| SCHEMBL498141 | 0.76 | NR1H4 (0.49) | NR1H4CCNKCCND3GSK3BCDK7 | |
| SCHEMBL27896299 | 0.75 | NR1H4 (0.43) | NR1H4RORC | |
| SCHEMBL498805 | 0.74 | NR1H4 (0.56) | NR1H4CCNKCCND3GSK3BCDK7 | |
| SCHEMBL27896015 | 0.72 | NR1H4 (0.39) | NR1H4CCNKCCND3GSK3BCDK7 | |
| SCHEMBL12168764 | 0.72 | NR1H4 (0.37) | NR1H4CCNKCCND3GSK3BCDK7 |
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 |