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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 4/20 | 0.85 |
| ▸ | APP | P05067 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 6/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.59 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | PTPRA | P18433 | 1/20 | 0.55 |
| ▸ | PTPRB | P23467 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29394731 | 1.00 | THRB (0.85) | THRBAPPCYP1A2CYP2C9MAPT | |
| SCHEMBL755171 | 1.00 | THRB (0.85) | THRBAPPCYP1A2CYP2C9MAPT | |
| E110 SCHEMBL142458 | 0.92 | THRB (1.00) | THRBAPPCYP1A2CYP2C9MAPT | |
| E110 SCHEMBL29350765 | 0.92 | THRB (1.00) | THRBAPPCYP1A2CYP2C9MAPT | |
| E110 SCHEMBL323402 | 0.92 | THRB (1.00) | THRBAPPCYP1A2CYP2C9MAPT | |
| E110 SCHEMBL13276157 | 0.92 | THRB (1.00) | THRBAPPCYP1A2CYP2C9MAPT | |
| SCHEMBL29859739 | 0.91 | THRB (0.79) | THRBAPPCYP1A2CYP2C9MAPT | |
| SCHEMBL1507664 | 0.91 | THRB (0.79) | THRBAPPCYP1A2CYP2C9MAPT | |
| SCHEMBL12760915 | 0.89 | THRB (0.95) | THRBAPPCYP1A2CYP2C9MAPT | |
| SCHEMBL29489969 | 0.88 | THRB (0.88) | THRBAPPCYP1A2CYP2C9MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5364466-A | Polymer scale preventive agent, polymerization vessel effective in preventing polymer scale deposition, and process of producing polymer using said vessel | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1994-11-15 | — | — | US | disclosed |
| US-5302639-A | Mixtures of nitrogen containing organic compound, anionic compound and a vinylpyrrolidone polymer | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1994-04-12 | — | — | US | disclosed |
| EP-0482593-A1 | Polymer scale preventive agent, polymerization vessel for preventing polymer scale deposition, and process of producing polymer using said vessel | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1992-04-29 | — | — | EP | disclosed |