Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 20/20 | 0.86 |
| ▸ | FXR2 | P51116 | 1/20 | 0.83 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.67 |
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 | 0.93 | NR1H4 (1.00) | NR1H4FXR2HSD17B13 | |
| Px-102 SCHEMBL17087856 | 0.91 | NR1H4 (1.00) | NR1H4FXR2 | |
| Px-102 SCHEMBL17087854 | 0.91 | NR1H4 (1.00) | NR1H4FXR2 | |
| Px-102 SCHEMBL29366746 | 0.91 | NR1H4 (1.00) | NR1H4FXR2 | |
| Px-102 SCHEMBL19633868 | 0.91 | NR1H4 (1.00) | NR1H4FXR2 | |
| Px-102 SCHEMBL24662891 | 0.91 | NR1H4 (1.00) | NR1H4FXR2 | |
| Px-102 SCHEMBL17087850 | 0.91 | NR1H4 (1.00) | NR1H4FXR2 | |
| Px-102 SCHEMBL29709582 | 0.91 | NR1H4 (1.00) | NR1H4FXR2 | |
| Px-102 SCHEMBL29823470 | 0.91 | NR1H4 (1.00) | NR1H4FXR2 | |
| Px-102 SCHEMBL1164533 | 0.91 | NR1H4 (1.00) | NR1H4FXR2 |
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-4400503-A2 | NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS | Gilead Sciences, Inc. (US) | 2024-07-17 | — | — | EP | disclosed |
| EP-3246070-A1 | NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING AZOLES | Gilead Sciences, Inc. (US) | 2017-11-22 | — | — | EP | disclosed |