Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 4/20 | 0.45 |
| ▸ | CES1 | P23141 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 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 | |
|---|---|---|---|---|
| SCHEMBL29504783 | 1.00 | KEAP1 (0.47) | KEAP1CES2CES1ALDH1A1ACE2 | |
| SCHEMBL28271165 | 1.00 | KEAP1 (0.47) | KEAP1CES2CES1ALDH1A1ACE2 | |
| SCHEMBL7288273 | 0.87 | KEAP1 (0.48) | KEAP1CES2CES1ALDH1A1ACE2 | |
| SCHEMBL24223349 | 0.84 | CES2 (0.44) | KEAP1CES2CES1MEN1KMT2A | |
| SCHEMBL20605963 | 0.81 | KEAP1 (0.50) | KEAP1CES2CES1ALDH1A1NOTUM | |
| SCHEMBL18435947 | 0.81 | NPC1 (0.47) | CES2CES1ALDH1A1KDM4EHPGD | |
| SCHEMBL24223372 | 0.81 | GAA (0.43) | CES2CES1ALDH1A1KDM4EHPGD | |
| SCHEMBL24223639 | 0.80 | CES2 (0.42) | CES2CES1HPGDKMT2A | |
| SCHEMBL24223641 | 0.80 | CES2 (0.42) | CES2CES1HPGDKMT2A | |
| Hydrochloric Acid SCHEMBL11581782 | 0.80 | KEAP1 (0.42) | KEAP1CES2CES1ALDH1A1ACE2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109134410-A | The synthetic method of fluoro- 3- methyl isobenzofuran -1 (3H) -one of 5- | 沈阳药科大学 | 2019-01-04 | — | — | CN | claimed |
| CN-109134410-B | Synthesis method of 5-fluoro-3-methylisobenzofuran-1 (3H) -ketone | 沈阳药科大学 | 2022-03-25 | — | — | CN | disclosed |
| WO-2021020998-A1 | METHOD FOR PRODUCING ROXADUSTAT | ФАЗЫЛОВ, Марат Феликсович | 2021-02-04 | — | — | WO | disclosed |
| CN-109134410-A | The synthetic method of fluoro- 3- methyl isobenzofuran -1 (3H) -one of 5- | 沈阳药科大学 | 2019-01-04 | — | — | CN | disclosed |