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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 2/20 | 0.48 |
| ▸ | BID | P55957 | 6/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 6/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 5/20 | 0.48 |
| ▸ | BAK1 | Q16611 | 5/20 | 0.48 |
| ▸ | KAT8 | Q9H7Z6 | 3/20 | 0.48 |
| ▸ | PPARA | Q07869 | 3/20 | 0.48 |
| ▸ | SAE1 | Q9UBE0 | 2/20 | 0.48 |
| ▸ | EP300 | Q09472 | 2/20 | 0.48 |
| ▸ | KAT5 | Q92993 | 2/20 | 0.48 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.48 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.48 |
| ▸ | F7 | P08709 | 3/20 | 0.42 |
| ▸ | F3 | P13726 | 3/20 | 0.42 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ECE1 | P42892 | 1/20 | 0.42 |
| ▸ | SGMS1 | Q86VZ5 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1925966 | 0.97 | BID (0.48) | BIDMCL1BCL2L1BAK1KAT8 | |
| Zinc Ion SCHEMBL527177 | 0.97 | BID (0.48) | BIDMCL1BCL2L1BAK1KAT8 | |
| SCHEMBL20581425 | 0.97 | BID (0.48) | BIDMCL1BCL2L1BAK1KAT8 | |
| SCHEMBL8612712 | 0.97 | BID (0.48) | BIDMCL1BCL2L1BAK1KAT8 | |
| SCHEMBL11195645 | 0.94 | BID (0.56) | BIDMCL1BCL2L1BAK1KAT8 | |
| SCHEMBL9451804 | 0.91 | BID (0.56) | BIDMCL1BCL2L1BAK1KAT8 | |
| SCHEMBL8879191 | 0.90 | KDM4E (0.40) | BIDMCL1BCL2L1BAK1KAT8 | |
| SCHEMBL8880075 | 0.85 | BID (0.39) | BIDMCL1BCL2L1BAK1KAT8 | |
| SCHEMBL4656620 | 0.85 | BID (0.61) | BIDMCL1BCL2L1BAK1KAT8 | |
| SCHEMBL8664404 | 0.85 | BID (0.61) | BIDMCL1BCL2L1BAK1KAT8 |
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 |
|---|---|---|---|---|---|---|---|
| US-5639922-A | CONTACTING AROMATIC PRIMARY AND TERTIARY HYDROPEROXIDES MIXTURE OBTAINED BY OXIDATION OF ALKYLAROMATIC COMPOUNDS WITH AN ALKALI OR ALKALINE ORGANIC AROMATIC CARBOXYLIC ACID SALT, DECOMPOSING WITH ACID CATALYST FORMING ALKYL PHENOLS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-06-17 | — | — | US | disclosed |