Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Methanesulfonic Acid Ethyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Methanesulfonic Acid Ethyl Ester SCHEMBL5533648 | 0.86 | CA1 (0.53) | TSHRUSP2CA1CA2KDM4E | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL2296 | 0.86 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL2461930 | 0.83 | TSHR (0.46) | TSHRUSP2CA1CA2KDM4E | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28142893 | 0.83 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28114804 | 0.83 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL5666892 | 0.83 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28179907 | 0.83 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL31396011 | 0.83 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28241242 | 0.83 | CA1 (0.50) | TSHRUSP2CA1CA2KDM4E | |
| Sulfuric Acid Diethyl Ester SCHEMBL28530059 | 0.81 | CA2 (0.43) | TSHRCA1CA2MEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106900547-B | Method for quickly creating new peanut germplasm | 辽宁省风沙地改良利用研究所 | 2021-03-16 | — | — | CN | claimed |
| CN-117084163-A | Breeding method of wheat seeds | 宿迁中江种业有限公司 | 2023-11-21 | — | — | CN | disclosed |
| CN-113906997-B | Wheat seed breeding method | 宿迁中江种业有限公司 | 2022-10-21 | — | — | CN | disclosed |
| CN-113906997-A | Wheat seed breeding method | 宿迁中江种业有限公司 | 2022-01-11 | — | — | CN | disclosed |
| CN-106900547-B | Method for quickly creating new peanut germplasm | 辽宁省风沙地改良利用研究所 | 2021-03-16 | — | — | CN | disclosed |