Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 17/20 | 0.52 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL2770660 | 0.90 | NR1H4 (0.49) | NR1H4 | |
| SCHEMBL2774467 | 0.88 | NR1H4 (0.57) | NR1H4 | |
| SCHEMBL2773272 | 0.88 | NR1H4 (0.57) | NR1H4 | |
| SCHEMBL2769974 | 0.87 | NR1H4 (0.48) | NR1H4 | |
| SCHEMBL2771937 | 0.87 | NR1H4 (0.47) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL3150237 | 0.87 | NR1H4 (0.54) | NR1H4NR1I2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2771727 | 0.86 | NR1H4 (0.52) | NR1H4 | |
| SCHEMBL2771077 | 0.86 | NR1H4 (0.55) | NR1H4 | |
| SCHEMBL2773254 | 0.84 | NR1H4 (0.52) | NR1H4 | |
| SCHEMBL2788558 | 0.84 | NR1H4 (0.52) | 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-2029547-B1 | FXR AGONISTS | LILLY CO ELI (US) | 2010-04-28 | — | — | EP | disclosed |