Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ESR1 | P03372 | 8/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL66253 | 0.83 | ERN1 (0.39) | CYP3A4MAPK1HSD17B10TSHRESR1 | |
| SCHEMBL911410 | 0.81 | CYP3A4 (0.55) | CYP3A4MAPK1HSD17B10TSHRESR1 | |
| SCHEMBL18894016 | 0.79 | CYP3A4 (0.46) | CYP3A4MAPK1HSD17B10TSHRESR1 | |
| SCHEMBL6182858 | 0.77 | MAPK1 (0.55) | CYP3A4MAPK1HSD17B10TSHRESR1 | |
| Ethane SCHEMBL28020924 | 0.77 | MAPK1 (0.50) | CYP3A4MAPK1HSD17B10TSHRESR1 | |
| SCHEMBL736924 | 0.75 | CYP3A4 (0.38) | CYP3A4ESR1ESR2ALOX15ALDH1A1 | |
| SCHEMBL8177468 | 0.75 | NOTUM (0.39) | CYP3A4HSD17B10TSHRESR1ESR2 | |
| SCHEMBL3840817 | 0.75 | ERN1 (0.34) | CYP3A4HSD17B10TSHRESR1ESR2 | |
| SCHEMBL22832033 | 0.75 | ALDH1A1 (0.43) | CYP3A4MAPK1HSD17B10TSHRESR2 | |
| SCHEMBL14784534 | 0.75 | MAPK1 (0.43) | CYP3A4MAPK1HSD17B10TSHRESR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105722830-B | Aryl thioethers derivative and aryl sulfoxid es derivative as acaricide and insecticide | 拜耳作物科学股份公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-105473558-B | Aromatic yl sulfide derivative and aryl oxysulfide derivative as acaricide and insecticide | 拜耳作物科学股份公司 | 2019-04-19 | — | — | CN | disclosed |
| WO-2004073612-A2 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO. INC. (US) | 2004-09-02 | — | — | WO | disclosed |