Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | HBB | P68871 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | BBOX1 | O75936 | 3/20 | 0.35 |
| ▸ | ENPEP | Q07075 | 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 | |
|---|---|---|---|---|
| SCHEMBL565085 | 0.86 | ALDH1A1 (0.44) | KDM4EMAPTALOX15GMNNALDH1A1 | |
| SCHEMBL17819132 | 0.86 | ALDH1A1 (0.44) | KDM4EMAPTALOX15GMNNALDH1A1 | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL18847 | 0.84 | KDM4E (0.48) | KDM4EMAPTALOX15GMNNALDH1A1 | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL835029 | 0.84 | KDM4E (0.48) | KDM4EMAPTALOX15GMNNALDH1A1 | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL8403162 | 0.81 | KDM4E (0.46) | KDM4EMAPTALOX15GMNNALDH1A1 | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL835873 | 0.81 | KDM4E (0.46) | KDM4EMAPTALOX15GMNNALDH1A1 | |
| SCHEMBL8460644 | 0.79 | — | — | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL835186 | 0.78 | KDM4E (0.41) | KDM4EMAPTALOX15GMNNALDH1A1 | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL837033 | 0.78 | KDM4E (0.41) | KDM4EMAPTALOX15GMNNALDH1A1 | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL835426 | 0.78 | KDM4E (0.41) | KDM4EMAPTALOX15GMNNALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5922902-A | Process for making mesna, dimesna and derivatives thereof | BIONUMERIK PHARMACEUTICALS, INC. (US) | 1999-07-13 | — | — | US | disclosed |
| US-5808140-A | Process for making mesna, dimesna and derivatives thereof | BIONUMERIK PHARMACEUTICALS, INC. (US) | 1998-09-15 | — | — | US | disclosed |