Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 9/20 | 0.47 |
| ▸ | MDH1 | P40925 | 1/20 | 0.35 |
| ▸ | MDH2 | P40926 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19202535 | 0.90 | NR1H4 (0.44) | NR1H4MAPTALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL19202587 | 0.86 | NR1H4 (0.38) | NR1H4 | |
| SCHEMBL19202525 | 0.81 | NR1H4 (0.45) | NR1H4MAPTKDM4EALDH1A1NPSR1 | |
| SCHEMBL19202590 | 0.75 | NR1H4 (0.46) | NR1H4L3MBTL1KDM4E | |
| SCHEMBL14562396 | 0.74 | NR1H4 (0.85) | NR1H4 | |
| SCHEMBL14605490 | 0.74 | NR1H4 (0.85) | NR1H4 | |
| SCHEMBL15929532 | 0.74 | NR1H4 (0.85) | NR1H4 | |
| SCHEMBL19202190 | 0.74 | WDR5 (0.36) | MDH1MDH2L3MBTL1MAPTKDM4E | |
| SCHEMBL17843256 | 0.74 | PIK3CA (0.39) | NR1H4KDM4EALDH1A1SMN1; SMN2CYP2C9 | |
| SCHEMBL19620248 | 0.74 | NR1H4 (0.51) | NR1H4 |
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-2017128896-A1 | FXR AGONIST AND PREPARATION METHOD AND USE THEREOF | 江苏豪森药业集团有限公司 | 2017-08-03 | — | — | WO | disclosed |