Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 19/20 | 0.63 |
| ▸ | VDR | P11473 | 2/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3165576 | 0.94 | NR1H4 (0.70) | NR1H4VDRSRD5A2 | |
| SCHEMBL3150919 | 0.94 | NR1H4 (0.61) | NR1H4VDR | |
| SCHEMBL3155021 | 0.92 | NR1H4 (0.67) | NR1H4VDR | |
| SCHEMBL498129 | 0.87 | NR1H4 (0.68) | NR1H4VDR | |
| SCHEMBL498287 | 0.87 | NR1H4 (0.67) | NR1H4VDRSRD5A2 | |
| SCHEMBL3169067 | 0.86 | NR1H4 (0.65) | NR1H4VDRSRD5A2 | |
| SCHEMBL3168275 | 0.84 | NR1H4 (0.64) | NR1H4VDRSRD5A2 | |
| SCHEMBL3162062 | 0.82 | NR1H4 (0.52) | NR1H4VDRSRD5A2 | |
| SCHEMBL498488 | 0.81 | NR1H4 (0.54) | NR1H4 | |
| SCHEMBL3165823 | 0.81 | NR1H4 (0.51) | NR1H4VDRSRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2029558-B1 | COMPOUNDS AND METHODS FOR MODULATING FXR | LILLY CO ELI (US) | 2010-03-10 | — | — | EP | disclosed |