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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.31 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL28736772 | 0.79 | MEN1 (0.32) | MEN1ALDH1A1TSHRKMT2A | |
| SCHEMBL28724770 | 0.76 | MEN1 (0.36) | ENPEPMEN1ALDH1A1TSHRKMT2A | |
| SCHEMBL11565876 | 0.71 | — | — | |
| SCHEMBL10854475 | 0.69 | EPHX2 (0.42) | APP | |
| SCHEMBL8346373 | 0.69 | PTGS1 (0.41) | APPPTGS1PDE4ALMNASLC6A6 | |
| SCHEMBL28688857 | 0.69 | TP53 (0.37) | — | |
| SCHEMBL28549412 | 0.69 | TSHR (0.38) | MEN1ALDH1A1TSHRKMT2A | |
| SCHEMBL28979478 | 0.69 | ALDH1A1 (0.38) | ENPEPMEN1ALDH1A1TSHRKMT2A | |
| SCHEMBL15674185 | 0.69 | APP (0.44) | APPPTGS1PDE4ALMNASLC6A6 | |
| SCHEMBL1979848 | 0.67 | APP (0.48) | APPPTGS1PDE4ALMNASLC6A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113881725-A | Method for preparing 1, 4-butanedisulfonic acid adenosine methionine salt through electrodialysis | 江西兄弟医药有限公司 | 2022-01-04 | — | — | CN | claimed |
| CN-113881725-A | Method for preparing 1, 4-butanedisulfonic acid adenosine methionine salt through electrodialysis | 江西兄弟医药有限公司 | 2022-01-04 | — | — | CN | disclosed |