Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 2/20 | 0.32 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.32 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1893326 | 0.84 | ALDH1A1 (0.47) | NR1H4ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL1887292 | 0.83 | NR1H4 (0.43) | NR1H4ALDH1A1NR1D1 | |
| SCHEMBL1887904 | 0.82 | NR1H4 (0.53) | NR1H4ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL1888447 | 0.79 | NPC1 (0.50) | NR1H4ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL1889082 | 0.78 | NR1H4 (0.56) | NR1H4ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL1886612 | 0.74 | NR1H4 (0.57) | NR1H4ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL16354113 | 0.74 | NR1D1 (0.37) | NR1H4NR1D1MAPTTSHR | |
| SCHEMBL1883343 | 0.72 | NR1H4 (0.61) | NR1H4ALDH1A1NPSR1MEN1KMT2A | |
| SCHEMBL1888346 | 0.72 | NR1H4 (0.41) | NR1H4ALDH1A1SMN1; SMN2 | |
| SCHEMBL16354266 | 0.70 | GLA (0.42) | NR1H4ALDH1A1NPSR1MEN1KMT2A |
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-2262785-A1 | BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS | Merck Patent GmbH (DE) | 2010-12-22 | — | — | EP | claimed |
| WO-2009127321-A1 | BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS | MERCK PATENT GMBH, (DE) | 2009-10-22 | — | — | WO | claimed |