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 | |
|---|---|---|---|---|
| ▸ | KCNJ11 known ✓ | Q14654 | 5/20 | 0.39 |
| ▸ | ABCC8 known ✓ | Q09428 | 4/20 | 0.39 |
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.35 |
| ▸ | ABCC9 | O60706 | 4/20 | 0.39 |
| ▸ | KCNJ8 | Q15842 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL974719 | 0.83 | HSD17B10 (0.53) | KCNJ11ABCC9ABCC8KCNJ8ALDH1A1 | |
| SCHEMBL2080934 | 0.79 | ALDH1A1 (0.43) | KCNJ11ABCC9ABCC8KCNJ8ALDH1A1 | |
| SCHEMBL8879750 | 0.77 | TSHR (0.48) | ALDH1A1HSD17B10HPGDCYP2C19KDM4E | |
| SCHEMBL9325870 | 0.76 | GLRA3 (0.45) | ALDH1A1HSD17B10HPGDCYP2C19KDM4E | |
| SCHEMBL28427672 | 0.76 | CA2 (0.48) | ALDH1A1HPGDKDM4ETSHRTDP1 | |
| SCHEMBL2592116 | 0.75 | ABCG2 (0.53) | ALDH1A1HSD17B10HPGDCYP2C19KDM4E | |
| SCHEMBL29589377 | 0.75 | ABCG2 (0.53) | ALDH1A1HSD17B10HPGDCYP2C19KDM4E | |
| SCHEMBL376426 | 0.75 | WDR5 (0.48) | ALDH1A1HSD17B10HPGDCYP2C19KDM4E | |
| SCHEMBL8880118 | 0.75 | ALDH1A1 (0.45) | ALDH1A1HSD17B10HPGDCYP2C19KDM4E | |
| SCHEMBL8878945 | 0.75 | NCEH1 (0.40) | ALDH1A1HSD17B10HPGDCYP2C19KDM4E |
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 |