Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 19/20 | 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 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | VDR | P11473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2770454 | 0.85 | NR1H4 (0.59) | NR1H4MRGPRX4VDR | |
| SCHEMBL2770414 | 0.85 | NR1H4 (0.57) | NR1H4MRGPRX4 | |
| SCHEMBL2773272 | 0.83 | NR1H4 (0.57) | NR1H4 | |
| SCHEMBL2774467 | 0.83 | NR1H4 (0.57) | NR1H4 | |
| SCHEMBL2770495 | 0.83 | NR1H4 (0.67) | NR1H4MRGPRX4VDR | |
| SCHEMBL2772857 | 0.83 | NR1H4 (0.55) | NR1H4MRGPRX4VDR | |
| SCHEMBL2771077 | 0.83 | NR1H4 (0.55) | NR1H4 | |
| SCHEMBL2770807 | 0.83 | NR1H4 (0.58) | NR1H4MRGPRX4VDR | |
| SCHEMBL2770415 | 0.82 | NR1H4 (0.54) | NR1H4MRGPRX4VDR | |
| SCHEMBL2771697 | 0.81 | NR1H4 (0.63) | NR1H4MRGPRX4VDR |
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 |