Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 16/20 | 0.54 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL498214 | 0.88 | NR1H4 (0.44) | NR1H4 | |
| SCHEMBL3150729 | 0.87 | NR1H4 (0.44) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL2773377 | 0.87 | NR1H4 (0.52) | NR1H4NR1I2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3164144 | 0.85 | NR1H4 (0.57) | NR1H4 | |
| SCHEMBL3159061 | 0.85 | NR1H4 (0.55) | NR1H4 | |
| SCHEMBL498129 | 0.84 | NR1H4 (0.68) | NR1H4 | |
| SCHEMBL3156107 | 0.83 | NR1H4 (0.39) | NR1H4 | |
| SCHEMBL2771937 | 0.81 | NR1H4 (0.47) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL498035 | 0.81 | NR1H4 (0.38) | NR1H4 | |
| SCHEMBL3165038 | 0.80 | NR1H4 (0.60) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2029558-B1 | COMPOUNDS AND METHODS FOR MODULATING FXR | LILLY CO ELI (US) | 2010-03-10 | — | — | EP | disclosed |