Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1340460 | 0.84 | MAPT (0.46) | ALDH1A1GAAADRA2BPTGS1TDP1 | |
| SCHEMBL31179963 | 0.79 | KDM4E (0.57) | ALDH1A1GAAADRA2BPTGS1TDP1 | |
| SCHEMBL31179965 | 0.75 | ALDH1A1 (0.58) | ALDH1A1GAAADRA2BPTGS1TDP1 | |
| SCHEMBL9266509 | 0.75 | TSHR (0.54) | ALDH1A1GAAADRA2BPTGS1TDP1 | |
| SCHEMBL30379539 | 0.75 | TSHR (0.54) | ALDH1A1GAAADRA2BPTGS1TDP1 | |
| SCHEMBL81185 | 0.74 | KDM4E (0.65) | ALDH1A1GAAADRA2BPTGS1TDP1 | |
| SCHEMBL30979203 | 0.74 | KDM4E (0.65) | ALDH1A1GAAADRA2BPTGS1TDP1 | |
| SCHEMBL29508342 | 0.74 | KDM4E (0.65) | ALDH1A1GAAADRA2BPTGS1TDP1 | |
| Hydrochloric Acid SCHEMBL11737056 | 0.72 | KDM4E (0.62) | ALDH1A1GAAADRA2BPTGS1TDP1 | |
| SCHEMBL6289306 | 0.72 | KDM4E (0.62) | ALDH1A1GAAADRA2BPTGS1TDP1 |
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-106336380-B | Pyrazole amide compound containing diphenyl ether structure, preparation method and application thereof | 浙江省化工研究院有限公司 | 2020-03-17 | — | — | CN | disclosed |