Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.83 |
| ▸ | FXR2 | P51116 | 1/20 | 0.70 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL18725003 | 0.91 | NR1H4 (1.00) | NR1H4FXR2HSD17B13 | |
| SCHEMBL19620269 | 0.90 | NR1H4 (0.86) | NR1H4FXR2HSD17B13 | |
| SCHEMBL19620274 | 0.88 | NR1H4 (0.80) | NR1H4FXR2HSD17B13 | |
| SCHEMBL14642092 | 0.87 | NR1H4 (0.84) | NR1H4HSD17B13 | |
| SCHEMBL17087799 | 0.87 | NR1H4 (0.84) | NR1H4HSD17B13 | |
| SCHEMBL14641963 | 0.87 | NR1H4 (0.84) | NR1H4HSD17B13 | |
| SCHEMBL29312023 | 0.86 | NR1H4 (0.78) | NR1H4FXR2 | |
| SCHEMBL19620272 | 0.85 | NR1H4 (0.78) | NR1H4FXR2HSD17B13 | |
| SCHEMBL18724849 | 0.85 | NR1H4 (0.75) | NR1H4FXR2HSD17B13 | |
| SCHEMBL1163928 | 0.83 | NR1H4 (1.00) | NR1H4FXR2HSD17B13 |
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-3246070-A1 | NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING AZOLES | Gilead Sciences, Inc. (US) | 2017-11-22 | — | — | EP | disclosed |
| EP-2987532-B1 | NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS | GILEAD SCIENCES INC (US) | 2017-04-12 | — | — | EP | disclosed |