Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 11/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL497874 | 0.77 | GABRB3 (0.42) | P2RX7CHRM5CHRM3 | |
| SCHEMBL1096331 | 0.73 | NR1H4 (0.44) | MAPK14ALDH1A1 | |
| SCHEMBL1097296 | 0.72 | NR1H4 (0.40) | MAPK14ALDH1A1 | |
| SCHEMBL3774518 | 0.69 | NR1H4 (0.39) | P2RX7HSD11B1 | |
| SCHEMBL2773464 | 0.68 | NR1H4 (0.38) | P2RX7 | |
| SCHEMBL2772721 | 0.68 | KCNJ5 (0.39) | MAPK14 | |
| SCHEMBL2255714 | 0.68 | TRPV1 (0.43) | — | |
| SCHEMBL9311162 | 0.66 | GABRB3 (0.43) | ALDH1A1 | |
| SCHEMBL27896299 | 0.66 | NR1H4 (0.43) | MAPK14ALDH1A1 | |
| SCHEMBL696040 | 0.65 | P2RX7 (0.41) | P2RX7HSD11B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2029558-A2 | COMPOUNDS AND METHODS FOR MODULATING FXR | ELI LILLY AND COMPANY (US) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007140174-A2 | COMPOUNDS AND METHODS FOR MODULATING FXR | ELI LILLY AND COMPANY (US) | 2007-12-06 | — | — | WO | disclosed |