Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | VDR | P11473 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4335051 | 0.93 | NR1H4 (0.78) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL2003271 | 0.89 | NR1H4 (0.85) | NR1H4CYP1A2CYP2C9VDR | |
| SCHEMBL4337407 | 0.87 | NR1H4 (0.66) | NR1H4CYP1A2CYP2C9VDR | |
| SCHEMBL4349255 | 0.85 | NR1H4 (0.66) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL4337574 | 0.85 | NR1H4 (0.65) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL4332513 | 0.83 | NR1H4 (0.77) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL4336044 | 0.83 | NR1H4 (0.67) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL4339748 | 0.83 | NR1H4 (0.75) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL4343947 | 0.82 | NR1H4 (0.66) | NR1H4CYP1A2CYP2C9VDR | |
| SCHEMBL4336466 | 0.82 | NR1H4 (0.65) | NR1H4CYP1A2CYP2C9 |
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-2079307-A2 | FARNESOID X RECEPTOR AGONISTS | SmithKline Beecham Corporation (US) | 2009-07-22 | — | — | EP | disclosed |
| WO-2008051942-A2 | FARNESOID X RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-05-02 | — | — | WO | disclosed |