Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Tert-Butyl Hydroperoxide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 1)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Hydroperoxide SCHEMBL18421283 | 0.97 | ALDH1A1 (0.56) | ALDH1A1 | |
| Tert-Butyl Hydroperoxide SCHEMBL2376582 | 0.97 | ALDH1A1 (0.56) | ALDH1A1 | |
| Tert-Butyl Hydroperoxide SCHEMBL29031648 | 0.92 | ALDH1A1 (0.50) | ALDH1A1 | |
| Tert-Butyl Hydroperoxide SCHEMBL28130538 | 0.88 | ALDH1A1 (0.53) | ALDH1A1 | |
| Tert-Butyl Hydroperoxide SCHEMBL28340455 | 0.88 | ALDH1A1 (0.53) | ALDH1A1 | |
| Tert-Butyl Hydroperoxide SCHEMBL29902458 | 0.83 | ALDH1A1 (0.47) | ALDH1A1 | |
| Tert-Butyl Hydroperoxide SCHEMBL539430 | 0.81 | ALDH1A1 (0.45) | ALDH1A1 | |
| Metasulfurous Acid SCHEMBL9466790 | 0.79 | ALDH1A1 (0.43) | ALDH1A1 | |
| Tert-Butyl Hydroperoxide SCHEMBL1767577 | 0.78 | ALDH1A1 (0.64) | ALDH1A1 | |
| Sulfurous Acid SCHEMBL1978617 | 0.77 | — | — |
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-20100330704-A1 | COMPOSITE PARTICLE, METHOD FOR PRODUCING THE SAME, DISPERSION SOLUTION, MAGNETIC BIOSENSING APPARATUS AND MAGNETIC BIOSENSING METHOD | CANON KABUSHIKI KAISHA (JP) | 2010-12-30 | — | — | US | disclosed |
| WO-2009151148-A1 | COMPOSITE PARTICLE, METHOD FOR PRODUCING THE SAME, DISPERSION SOLUTION, MAGNETIC BIOSENSING APPARATUS AND MAGNETIC BIOSENSING METHOD | CANON KABUSHIKI KAISHA (JP) | 2009-12-17 | — | — | WO | disclosed |