Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 2-Mercaptoethanesulfonic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| 2-Mercaptoethanesulfonic Acid SCHEMBL2301571 | 0.97 | KDM4E (1.00) | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL7993 | 0.97 | — | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL26112497 | 0.94 | — | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL6316228 | 0.90 | — | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL8048597 | 0.90 | — | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL14988940 | 0.90 | — | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL10412576 | 0.90 | KDM4E (0.88) | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL3271658 | 0.90 | — | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL8048601 | 0.90 | KDM4E (0.88) | — | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL10413265 | 0.90 | KDM4E (0.88) | — |
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-2020119739-A1 | 2-AMINOPYRIMIDINE COMPOUND AND APPLICATION THEREFOR | 暨南大学 | 2020-06-18 | — | — | WO | disclosed |
| WO-2019170147-A1 | METHOD AND COMPOSITION FOR TREATING TUMORS | 科济生物医药（上海）有限公司 | 2019-09-12 | — | — | WO | disclosed |