Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | STS | P08842 | 2/20 | 0.42 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | CTSE | P14091 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19689482 | 0.85 | MET (0.37) | ALDH1A1STSMETAXLGPR119 | |
| SCHEMBL29736070 | 0.85 | MET (0.37) | ALDH1A1STSMETAXLGPR119 | |
| SCHEMBL29735795 | 0.85 | ESR2 (0.53) | STSMETAXLESR2MEN1 | |
| SCHEMBL19689567 | 0.85 | ESR2 (0.53) | STSMETAXLESR2MEN1 | |
| SCHEMBL30148531 | 0.84 | STS (0.50) | ALDH1A1STSMETAXLGPR119 | |
| SCHEMBL31735017 | 0.84 | RORC (0.42) | ALDH1A1STSESR2ROCK2MEN1 | |
| SCHEMBL30148522 | 0.84 | STS (0.50) | ALDH1A1STSMETAXLGPR119 | |
| SCHEMBL15689748 | 0.81 | STS (0.44) | STSGPR119ESR2MAPTMEN1 | |
| SCHEMBL29853675 | 0.80 | CYP3A4 (0.40) | ALDH1A1STSMETAXLGPR119 | |
| SCHEMBL26768529 | 0.80 | CYP3A4 (0.40) | ALDH1A1STSMETAXLGPR119 |
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 |