Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 2/20 | 0.39 |
| ▸ | CASP7 | P55210 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 5/20 | 0.38 |
| ▸ | JUN | P05412 | 4/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.38 |
| ▸ | RELA | Q04206 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | ATF1 | P18846 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28527516 | 0.85 | ALDH1A1 (0.39) | KDM4EHPGDTSHRMAPTALDH1A1 | |
| SCHEMBL21590765 | 0.81 | KDM4E (0.42) | KDM4EIDO1HPGDCASP1CASP7 | |
| SCHEMBL28526135 | 0.79 | TSHR (0.37) | KDM4EHPGDCASP1CASP7HSD17B10 | |
| SCHEMBL262187 | 0.78 | KDM4E (0.52) | KDM4EIDO1NPSR1HPGDCASP1 | |
| SCHEMBL28521042 | 0.78 | TSHR (0.36) | KDM4EHPGDHSD17B10TSHRMAPT | |
| SCHEMBL5773409 | 0.78 | MAPT (0.49) | KDM4EIDO1NPSR1TSHRNFKB1 | |
| SCHEMBL11396911 | 0.77 | MEN1 (0.53) | KDM4EHPGDCASP1CASP7HSD17B10 | |
| SCHEMBL20241126 | 0.77 | ALDH1A1 (0.42) | HSD17B10TSHRMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL3978092 | 0.75 | JAK2 (0.55) | KDM4ENPSR1HPGDHSD17B10TSHR | |
| SCHEMBL18149813 | 0.74 | KDM4E (0.58) | KDM4EIDO1NPSR1HPGDTSHR |
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-112424196-A | Novel isoxazolyl ether derivatives as GABAA alpha 5 PAM | 豪夫迈·罗氏有限公司 | 2021-02-26 | — | — | CN | disclosed |