Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 15/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14215910 | 0.92 | NR1H4 (0.60) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215907 | 0.87 | NR1H4 (0.52) | NR1H4CYP1A2CYP2C9MAPTALDH1A1 | |
| SCHEMBL14215783 | 0.82 | NR1H4 (0.50) | NR1H4CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL14215912 | 0.82 | NR1H4 (0.51) | NR1H4CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL14215706 | 0.81 | NR1H4 (0.49) | NR1H4CYP1A2CYP2C9MAPTALDH1A1 | |
| SCHEMBL14215809 | 0.79 | KDM4E (0.44) | NR1H4CYP1A2CYP2C9MAPTALDH1A1 | |
| SCHEMBL14215803 | 0.79 | NR1H4 (0.48) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215703 | 0.79 | NR1H4 (0.62) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL14215740 | 0.78 | NR1H4 (0.56) | NR1H4CYP1A2CYP2C9 | |
| SCHEMBL2000284 | 0.76 | NR1H4 (0.84) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008051942-A2 | FARNESOID X RECEPTOR AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-05-02 | — | — | WO | disclosed |