Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.64 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | ABAT | P80404 | 1/20 | 0.43 |
| ▸ | BCL2 | P10415 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 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 | |
|---|---|---|---|---|
| SCHEMBL8656644 | 0.84 | KEAP1 (0.78) | KEAP1ESR1ESR2ALOX5ABAT | |
| SCHEMBL29372857 | 0.83 | CYP3A4 (0.56) | KEAP1ALDH1A1L3MBTL1HTR2ATSHR | |
| SCHEMBL39484 | 0.83 | CYP3A4 (0.56) | KEAP1ALDH1A1L3MBTL1HTR2ATSHR | |
| SCHEMBL8975207 | 0.82 | KEAP1 (0.53) | KEAP1ESR1ESR2ALOX5ABAT | |
| SCHEMBL542553 | 0.82 | HTR2A (0.56) | ALOX5BCL2BCL2L1ALDH1A1HTR2A | |
| 4,4'-Methylenedianiline SCHEMBL5189841 | 0.81 | CYP3A4 (0.61) | KEAP1ALDH1A1L3MBTL1HTR2ATSHR | |
| SCHEMBL18203488 | 0.81 | CYP3A4 (0.54) | KEAP1ALDH1A1L3MBTL1HTR2ATSHR | |
| Methyl Alcohol SCHEMBL27565457 | 0.81 | HTR2A (0.50) | KEAP1ALOX5BCL2BCL2L1L3MBTL1 | |
| SCHEMBL21010918 | 0.81 | KEAP1 (0.61) | KEAP1ESR1ESR2ALOX5ABAT | |
| SCHEMBL21010919 | 0.79 | ESR1 (0.52) | KEAP1ESR1ESR2ALOX5ABAT |
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-115920973-B | Preparation method of full deuterated methanol | 泽升科技(广州)有限公司 | 2023-05-26 | — | — | CN | disclosed |
| CN-115920973-A | Preparation method of deuterated methanol | 泽升科技(广州)有限公司 | 2023-04-07 | — | — | CN | disclosed |
| WO-2010140902-A1 | INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR | HAMPTON MARK (NZ) | 2010-12-09 | — | — | WO | disclosed |