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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.31 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.31 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.31 |
| ▸ | PDK1 known ✓ | Q15118 | 1/20 | 0.31 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.30 |
| ▸ | GABRB1 known ✓ | P18505 | 1/20 | 0.30 |
| ▸ | GABRG2 known ✓ | P18507 | 1/20 | 0.30 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.30 |
| ▸ | GABRB3 known ✓ | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 known ✓ | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 known ✓ | P34903 | 1/20 | 0.30 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.30 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.30 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.30 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.30 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8879320 | 0.83 | HPGD (0.42) | KDM4EHPGDALDH1A1CA2CA1 | |
| SCHEMBL8878665 | 0.82 | TSHR (0.38) | ACE2KDM4EHPGDALDH1A1POLB | |
| SCHEMBL8879799 | 0.81 | KDM4E (0.48) | KDM4EHPGDALDH1A1POLBTDP1 | |
| Potassium Ion SCHEMBL343202 | 0.79 | GABRA1 (0.42) | KDM4EHPGDALDH1A1CA2CA1 | |
| SCHEMBL28170142 | 0.78 | GABRA1 (0.48) | HPGDCA2CA1CA4LMNA | |
| Lithium Ion SCHEMBL5013314 | 0.76 | KDM4E (0.42) | KDM4EHPGDALDH1A1POLBTDP1 | |
| Potassium Ion SCHEMBL30690405 | 0.76 | KDM4E (0.42) | KDM4EHPGDALDH1A1POLBTDP1 | |
| SCHEMBL847820 | 0.76 | KDM4E (0.42) | KDM4EHPGDALDH1A1POLBTDP1 | |
| Potassium Ion SCHEMBL28758937 | 0.76 | KDM4E (0.42) | KDM4EHPGDALDH1A1POLBTDP1 | |
| SCHEMBL8880138 | 0.75 | ALDH1A1 (0.40) | KDM4EHPGDALDH1A1POLBTDP1 |
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 |