Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4788026 | 1.00 | NR1H4 (0.72) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL3558696 | 0.99 | NR1H4 (0.71) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL3558693 | 0.98 | NR1H4 (0.71) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL3565567 | 0.91 | NR1H4 (0.64) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL3565563 | 0.91 | NR1H4 (0.65) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3573957 | 0.86 | NR1H4 (0.86) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL3557195 | 0.85 | NR1H4 (0.84) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3571353 | 0.84 | NR1H4 (0.81) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3572739 | 0.84 | NR1H4 (0.81) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3565319 | 0.84 | NR1H4 (1.00) | NR1H4KCNH2CYP3A4CYP2D6CYP2C9 |
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-2008155054-A1 | FARNESOID-X-RECEPTOR MUTANTS, AND CRYSTALLISATION THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2008-12-24 | — | — | WO | disclosed |