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 | |
|---|---|---|---|---|
| ▸ | SCN1A known ✓ | P35498 | 1/20 | 0.45 |
| ▸ | SCN2A known ✓ | Q99250 | 1/20 | 0.45 |
| ▸ | SCN3A known ✓ | Q9NY46 | 1/20 | 0.45 |
| ▸ | GABRA1 known ✓ | P14867 | 3/20 | 0.40 |
| ▸ | GABRG2 known ✓ | P18507 | 3/20 | 0.40 |
| ▸ | GABRB3 known ✓ | P28472 | 3/20 | 0.40 |
| ▸ | GABRA5 known ✓ | P31644 | 3/20 | 0.40 |
| ▸ | GABRA3 known ✓ | P34903 | 3/20 | 0.40 |
| ▸ | GABRA2 known ✓ | P47869 | 3/20 | 0.40 |
| ▸ | GABRA6 known ✓ | Q16445 | 1/20 | 0.40 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6231293 | 0.90 | ALDH1A1 (0.58) | ALDH1A1ADRA1ATSHRSCN1ASCN2A | |
| SCHEMBL20561123 | 0.83 | ALDH1A1 (0.49) | ALDH1A1ADRA1ATSHRSCN1ASCN2A | |
| SCHEMBL8880799 | 0.83 | ALDH1A1 (0.52) | ALDH1A1ADRA1ATSHRSCN1ASCN2A | |
| SCHEMBL2989810 | 0.83 | ALDH1A1 (0.68) | ALDH1A1ADRA1ATSHRSCN1ASCN2A | |
| SCHEMBL8879331 | 0.83 | NPC1 (0.53) | ALDH1A1TSHRKDM4EHPGDCA2 | |
| SCHEMBL28815185 | 0.82 | TSHR (0.70) | ALDH1A1ADRA1ATSHRSCN1ASCN2A | |
| SCHEMBL39200 | 0.80 | LMNA (0.55) | ALDH1A1ADRA1ATSHRSCN1ASCN2A | |
| SCHEMBL15204568 | 0.80 | ALDH1A1 (0.49) | ALDH1A1ADRA1ATSHRSCN1ASCN2A | |
| SCHEMBL13328208 | 0.80 | SMN1; SMN2 (0.58) | ALDH1A1ADRA1ATSHRSCN1ASCN2A | |
| SCHEMBL15684530 | 0.79 | ALDH1A1 (0.75) | ALDH1A1ADRA1ATSHRSCN1ASCN2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1058002-C | Method for treatment of mixture of hydroperoxide | SUMITOMO CHEMICAL CO (JP) | 2000-11-01 | — | — | CN | disclosed |
| 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 |
| CN-1128754-A | Method for treatment of mixture of hydroperoxide | SUMITOMO CHEMICAL CO (JP) | 1996-08-14 | — | — | CN | disclosed |