Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.53 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.53 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 11/20 | 0.43 |
| ▸ | KDM5A | P29375 | 10/20 | 0.43 |
| ▸ | KDM5B | Q9UGL1 | 10/20 | 0.43 |
| ▸ | KDM4A | O75164 | 2/20 | 0.41 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30775159 | 1.00 | NR1H4 (0.53) | NR1H4HSD17B13PIK3CAKDM4CKDM5A | |
| Nitrous Acid SCHEMBL29139870 | 0.96 | NR1H4 (0.51) | NR1H4HSD17B13PIK3CAKDM4CKDM5A | |
| SCHEMBL19202591 | 0.87 | NR1H4 (0.45) | NR1H4HSD17B13PIK3CAKDM4CKDM5A | |
| SCHEMBL29139868 | 0.85 | NR1H4 (0.44) | NR1H4HSD17B13PIK3CAKDM4CKDM5A | |
| SCHEMBL29216000 | 0.80 | NR1H4 (0.54) | NR1H4HSD17B13PIK3CAKDM4CKDM5A | |
| SCHEMBL30775154 | 0.80 | NR1H4 (0.54) | NR1H4HSD17B13PIK3CAKDM4CKDM5A | |
| SCHEMBL30064306 | 0.79 | MALT1 (0.40) | NR1H4HSD17B13 | |
| SCHEMBL17843286 | 0.76 | HRH3 (0.43) | NR1H4HSD17B13PIK3CAKDM4CKDM5A | |
| SCHEMBL20749493 | 0.75 | NR1H4 (0.49) | NR1H4HSD17B13PIK3CAKDM4CKDM5A | |
| SCHEMBL19718048 | 0.73 | HSD17B10 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109476636-B | Compounds that modulate FXR (NR 1H 4) | 吉利德科学公司 | 2024-01-09 | — | — | CN | disclosed |