Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 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 | 0.91 | CA1 (0.53) | TSHRALDH1A1USP2CA1CA2 | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL2296 | 0.91 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28114804 | 0.88 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28142893 | 0.88 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL31396011 | 0.88 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL5666892 | 0.88 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28241242 | 0.88 | CA1 (0.50) | TSHRALDH1A1USP2CA1CA2 | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28179907 | 0.88 | — | — | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL3338728 | 0.85 | USP2 (0.48) | TSHRALDH1A1USP2CA1CA2 | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL28537952 | 0.83 | TSHR (0.42) | TSHRALDH1A1USP2CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012066366-A1 | NEW SALTS SUITABLE FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS | EGIS GYŐGYSZERGYÁR NYILVÁNOSAN MŰKÖDÖ RÉSZVÉNYTÁR-SASÁG (HU) | 2012-05-24 | — | — | WO | disclosed |
| WO-2011110876-A1 | NOVEL SALTS FOR THE MANUFACTURE OF PHARMACEUTICAL COMPOSITIONS | EGIS GYÓGYSZERGYÁR NYILVÁNOSAN MŰKÖDŐ RÉSZVÉNYTÁRSASÁG (HU) | 2011-09-15 | — | — | WO | disclosed |