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.
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 | |
|---|---|---|---|---|
| SCHEMBL15820261 | 0.83 | — | — | |
| SCHEMBL1898315 | 0.79 | — | — | |
| SCHEMBL28114498 | 0.78 | — | — | |
| Tert-Butylamine SCHEMBL19171185 | 0.78 | ALDH1A1 (0.42) | — | |
| Lithium Ion SCHEMBL26631940 | 0.76 | — | — | |
| SCHEMBL8961418 | 0.76 | CA1 (0.38) | — | |
| Potassium Ion SCHEMBL11306810 | 0.76 | — | — | |
| SCHEMBL27987666 | 0.74 | — | — | |
| Pivalate SCHEMBL1043179 | 0.74 | — | — | |
| Tert-Butanol SCHEMBL11271524 | 0.74 | CA1 (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1898952-A2 | SYNERGISTIC MIXTURES OF AROMATIC ALCOHOLS AND DERIVATIVES THEREOF AND TROPOLONE (DERIVATIVES) | Symrise GmbH & Co. KG (DE) | 2008-03-19 | — | — | EP | claimed |
| WO-2006134160-A2 | SYNERGISTIC MIXTURES OF AROMATIC ALCOHOLS AND DERIVATIVES THEREOF AND TROPOLONE (DERIVATIVES) | SYMRISE GMBH & CO. KG (DE) | 2006-12-21 | — | — | WO | claimed |
| EP-1796659-A2 | SILVER DIHYDROGEN CITRATE COMPOSITIONS | Pure Bioscience (US) | 2007-06-20 | — | — | EP | disclosed |
| US-20060115440-A1 | Silver dihydrogen citrate compositions | PURE BIOSCIENCE | 2006-06-01 | — | — | US | disclosed |
| WO-2006029213-A2 | SILVER DIHYDROGEN CITRATE COMPOSITIONS | PURE BIOSCIENCE (US) | 2006-03-16 | — | — | WO | disclosed |