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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.34 |
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.34 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.34 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.32 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8878090 | 0.87 | PRKCI (0.41) | KDM4EALDH1A1HPGDPOLBTDP1 | |
| SCHEMBL8880075 | 0.84 | BID (0.39) | ALDH1A1HPGDGABRA1GABRB2HSD17B10 | |
| SCHEMBL8879799 | 0.82 | KDM4E (0.48) | KDM4EALDH1A1HPGDPOLBTDP1 | |
| SCHEMBL8880203 | 0.82 | ALDH1A1 (0.44) | KDM4EALDH1A1HPGDGABRA1GABRB2 | |
| SCHEMBL847820 | 0.78 | KDM4E (0.42) | KDM4EALDH1A1HPGDPOLBTDP1 | |
| Potassium Ion SCHEMBL28758937 | 0.78 | KDM4E (0.42) | KDM4EALDH1A1HPGDPOLBTDP1 | |
| Lithium Ion SCHEMBL5013314 | 0.78 | KDM4E (0.42) | KDM4EALDH1A1HPGDPOLBTDP1 | |
| Potassium Ion SCHEMBL30690405 | 0.78 | KDM4E (0.42) | KDM4EALDH1A1HPGDPOLBTDP1 | |
| SCHEMBL8880138 | 0.77 | ALDH1A1 (0.40) | KDM4EALDH1A1HPGDPOLBTDP1 | |
| SCHEMBL8879074 | 0.75 | KDM4E (0.39) | KDM4EALDH1A1HPGDPOLBTDP1 |
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 |