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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 9/20 | 0.43 |
| ▸ | CA12 known ✓ | O43570 | 8/20 | 0.43 |
| ▸ | CA1 known ✓ | P00915 | 8/20 | 0.43 |
| ▸ | CA9 | Q16790 | 8/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11508525 | 0.84 | SMN1; SMN2 (0.51) | CA2CA12CA9CA1LMNA | |
| SCHEMBL3715900 | 0.82 | CA12 (0.46) | CA2CA12CA9CA1LMNA | |
| SCHEMBL6240600 | 0.81 | CA1 (0.48) | CA2CA12CA9CA1LMNA | |
| SCHEMBL28891067 | 0.80 | MAPT (0.50) | CA2CA12CA9CA1LMNA | |
| SCHEMBL9512367 | 0.79 | CA1 (0.47) | CA2CA12CA9CA1LMNA | |
| SCHEMBL24609868 | 0.79 | MAPT (0.61) | CA2CA12CA9CA1LMNA | |
| SCHEMBL11596285 | 0.79 | CA12 (0.52) | CA2CA12CA9CA1LMNA | |
| SCHEMBL1451097 | 0.78 | LMNA (0.44) | CA2CA12CA9CA1LMNA | |
| SCHEMBL13588818 | 0.78 | LMNA (0.43) | CA2CA12CA9CA1LMNA | |
| SCHEMBL7288280 | 0.77 | CA1 (0.45) | CA2CA12CA9CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0446649-B1 | Process for the preparation of sodium 3-diethylaminobenzene-sulfonate | BASF AG (DE) | 1993-11-10 | — | — | EP | claimed |