Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 19/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | LIFR | P42702 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4341069 | 0.92 | NR1H4 (0.61) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4343947 | 0.89 | NR1H4 (0.66) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL1998226 | 0.88 | NR1H4 (0.71) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL3637272 | 0.86 | NR1H4 (0.55) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4339399 | 0.85 | NR1H4 (0.67) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4336466 | 0.85 | NR1H4 (0.65) | NR1H4CYP1A2CYP2C9LIFR | |
| SCHEMBL4337538 | 0.84 | NR1H4 (0.77) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4336044 | 0.84 | NR1H4 (0.67) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4337491 | 0.83 | NR1H4 (0.65) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4337574 | 0.83 | 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 |