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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.61 |
| ▸ | CDC25B | P30305 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CDC25A | P30304 | 1/20 | 0.48 |
| ▸ | CDC25C | P30307 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL5022450 | 0.96 | TSHR (0.78) | TSHRALDH1A1HSD17B10CDC25BTDP1 | |
| SCHEMBL17968611 | 0.96 | TSHR (0.78) | TSHRALDH1A1HSD17B10CDC25BTDP1 | |
| Potassium Ion SCHEMBL11868447 | 0.96 | TSHR (0.78) | TSHRALDH1A1HSD17B10CDC25BTDP1 | |
| Diethyl Phthalate SCHEMBL5306972 | 0.88 | TSHR (1.00) | TSHRALDH1A1HSD17B10CDC25BTDP1 | |
| Diethyl Phthalate SCHEMBL29404255 | 0.88 | TSHR (1.00) | TSHRALDH1A1HSD17B10CDC25BTDP1 | |
| Diethyl Phthalate SCHEMBL22296 | 0.88 | TSHR (1.00) | TSHRALDH1A1HSD17B10CDC25BTDP1 | |
| Diethyl Phthalate SCHEMBL19252611 | 0.86 | TSHR (0.95) | TSHRALDH1A1HSD17B10CDC25BTDP1 | |
| Diethyl Phthalate SCHEMBL7520316 | 0.86 | TSHR (0.95) | TSHRALDH1A1HSD17B10CDC25BTDP1 | |
| Diethyl Phthalate SCHEMBL30925693 | 0.86 | TSHR (0.95) | TSHRALDH1A1HSD17B10CDC25BTDP1 | |
| Diethyl Phthalate SCHEMBL8577506 | 0.86 | TSHR (0.95) | TSHRALDH1A1HSD17B10CDC25BTDP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113038923-A | Active ingredient composition for the care of human hair | 汉高股份有限及两合公司 | 2021-06-25 | — | — | CN | disclosed |
| CN-112996481-A | Active ingredient combinations as synergists for UV filters | 汉高股份有限及两合公司 | 2021-06-18 | — | — | CN | disclosed |
| CN-112969446-A | Active ingredient composition for improved deposition of antioxidants | 汉高股份有限及两合公司 | 2021-06-15 | — | — | CN | disclosed |
| WO-2006094770-A2 | APPARATUS AND METHOD FOR THE FINAL PROCESSING OF A FORMING TOOL FOR A SHEET-METAL BODY PART | LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) | 2006-09-14 | — | — | WO | disclosed |
| 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 |