Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | LIFR | P42702 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3643504 | 0.92 | NR1H4 (0.56) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL3637265 | 0.92 | NR1H4 (0.61) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4336014 | 0.91 | NR1H4 (0.77) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4341325 | 0.90 | NR1H4 (0.76) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL3641386 | 0.89 | NR1H4 (0.75) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL3643170 | 0.88 | NR1H4 (0.59) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL3640492 | 0.88 | NR1H4 (0.75) | NR1H4LIFR | |
| SCHEMBL3642034 | 0.88 | NR1H4 (0.61) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL3638746 | 0.88 | NR1H4 (0.65) | NR1H4CYP1A2CYP2C9NR1I2CYP3A4 | |
| SCHEMBL4332513 | 0.88 | NR1H4 (0.77) | 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-2173174-A1 | FARNESOID X RECEPTOR AGONISTS | GlaxoSmithKline LLC (US) | 2010-04-14 | — | — | EP | claimed |
| WO-2009005998-A1 | FARNESOID X RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-01-08 | — | — | WO | claimed |