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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 5/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.39 |
| ▸ | CA12 known ✓ | O43570 | 4/20 | 0.39 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.36 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.36 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | HPGD | P15428 | 5/20 | 0.57 |
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | CA7 | P43166 | 4/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MDM4 | O15151 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8878979 | 0.83 | KDM4E (0.50) | KDM4EALDH1A1HPGDCA1CA2 | |
| SCHEMBL8878918 | 0.81 | HPGD (0.42) | KDM4EALDH1A1HPGDCA1CA2 | |
| SCHEMBL8880159 | 0.81 | KDM4E (0.42) | KDM4EALDH1A1HPGDCA2TDP1 | |
| SCHEMBL8878996 | 0.81 | ALDH1A1 (0.42) | KDM4EALDH1A1HPGDCA2THRB | |
| SCHEMBL13773187 | 0.81 | THRB (0.48) | KDM4EALDH1A1HPGDCA1CA2 | |
| SCHEMBL5230216 | 0.81 | ALDH1A1 (0.54) | KDM4EALDH1A1HPGDCA1CA2 | |
| SCHEMBL6951207 | 0.79 | KDM4E (0.55) | KDM4EALDH1A1HPGDCA1CA2 | |
| Salicylic Acid SCHEMBL8204372 | 0.77 | KDM4E (0.80) | KDM4EALDH1A1HPGDCA1CA2 | |
| SCHEMBL16208993 | 0.76 | TSHR (0.61) | KDM4EALDH1A1HPGDCA1CA2 | |
| SCHEMBL29517098 | 0.75 | BCL2 (0.51) | KDM4EALDH1A1HPGDCA1CA2 |
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 |