Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30683839 | 0.98 | NPSR1 (0.34) | NPSR1CYP4F2CYP4A11HPGDDGAT1 | |
| SCHEMBL22927448 | 0.93 | DGAT1 (0.33) | NPSR1CYP4F2CYP4A11HPGDDGAT1 | |
| SCHEMBL23293553 | 0.90 | CYP2C19 (0.32) | NPSR1CYP4F2CYP4A11HPGD | |
| SCHEMBL4825718 | 0.90 | NPSR1 (0.42) | NPSR1CYP4F2CYP4A11DGAT1 | |
| SCHEMBL28633836 | 0.89 | ALDH1A1 (0.30) | TSHR | |
| SCHEMBL7884001 | 0.88 | CYP2C19 (0.31) | CYP4F2CYP4A11 | |
| SCHEMBL27574308 | 0.88 | CYP4F2 (0.30) | CYP4F2CYP4A11 | |
| SCHEMBL4829842 | 0.87 | NPSR1 (0.31) | NPSR1CYP4F2CYP4A11DGAT1 | |
| SCHEMBL15535385 | 0.87 | DGAT1 (0.34) | NPSR1CYP4F2CYP4A11DGAT1GAA | |
| SCHEMBL4824038 | 0.85 | CYP4F2 (0.31) | NPSR1CYP4F2CYP4A11 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111032603-B | Iron-catalyzed transesterification hydrogenation of esters to alcohols | 伊士曼化工公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-112079715-B | Method for synthesizing trans-1, 4-cyclohexanedicarboxylic acid mono-tert-butyl ester | 江苏创拓新材料有限公司 | 2022-04-05 | — | — | CN | disclosed |
| CN-112079715-A | Method for synthesizing trans-1, 4-cyclohexanedicarboxylic acid mono-tert-butyl ester | 江苏创拓新材料有限公司 | 2020-12-15 | — | — | CN | disclosed |
| EP-3661900-A1 | IRON-CATALYZED TRANSFER HYDROGENATION OF ESTERS TO ALCOHOLS | Eastman Chemical Company (US) | 2020-06-10 | — | — | EP | disclosed |
| CN-111032603-A | Iron-catalyzed transfer hydrogenation of esters to alcohols | 伊士曼化工公司 | 2020-04-17 | — | — | CN | disclosed |
| WO-2019027967-A1 | IRON-CATALYZED TRANSFER HYDROGENATION OF ESTERS TO ALCOHOLS | EASTMAN CHEMICAL COMPANY (US) | 2019-02-07 | — | — | WO | disclosed |
| US-6974658-B2 | HIGH MOLECULAR COMPOUND, MONOMER COMPOUNDS AND PHOTOSENSITIVE COMPOSITION FOR PHOTORESIST, PATTERN FORMING METHOD UTILIZING PHOTOSENSITIVE COMPOSITION, AND METHOD OF MANUFACTURING ELECTRONIC COMPONENTS | KABUSHIKI KAISHA TOSHIBA (JP) | 2005-12-13 | — | — | US | disclosed |