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 | 2/20 | 0.47 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.56 |
| ▸ | TTR | P02766 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | GLB1 | P16278 | 1/20 | 0.44 |
| ▸ | CHAT | P28329 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.44 |
| ▸ | CTRC | Q99895 | 1/20 | 0.44 |
| ▸ | SLC7A11 | Q9UPY5 | 3/20 | 0.42 |
| ▸ | NSD2 | O96028 | 5/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30742565 | 1.00 | NR4A1 (0.56) | NR4A1TTRTHRBALDH1A1CYP3A4 | |
| SCHEMBL2093555 | 1.00 | NR4A1 (0.56) | NR4A1TTRTHRBALDH1A1CYP3A4 | |
| SCHEMBL29354786 | 1.00 | NR4A1 (0.56) | NR4A1TTRTHRBALDH1A1CYP3A4 | |
| Water SCHEMBL29985321 | 0.98 | NR4A1 (0.54) | NR4A1TTRTHRBALDH1A1CYP3A4 | |
| Water SCHEMBL28335545 | 0.98 | NR4A1 (0.54) | NR4A1TTRTHRBALDH1A1CYP3A4 | |
| Potassium Ion SCHEMBL28792184 | 0.96 | NR4A1 (0.60) | NR4A1TTRTHRBALDH1A1CYP3A4 | |
| Lithium Ion SCHEMBL20420823 | 0.96 | NR4A1 (0.56) | NR4A1TTRTHRBALDH1A1CYP3A4 | |
| SCHEMBL2951288 | 0.88 | TTR (0.63) | NR4A1TTRALDH1A1CYP3A4HPGD | |
| Lithium Ion SCHEMBL20420825 | 0.84 | TTR (0.63) | NR4A1TTRALDH1A1CYP3A4HPGD | |
| SCHEMBL10383985 | 0.80 | NSD2 (0.44) | NR4A1TTRTHRBALDH1A1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1318982-A1 | COMPOUNDS AND METHODS FOR DIAGNOSING AND TREATING AMYLOID-RELATED CONDITIONS | PHARMACIA & UPJOHN COMPANY (US) | 2003-06-18 | — | — | EP | disclosed |
| WO-2002024652-A1 | COMPOUNDS AND METHODS FOR DIAGNOSING AND TREATING AMYLOID-RELATED CONDITIONS | PHARMACIA & UPJOHN COMPANY (US) | 2002-03-28 | — | — | WO | disclosed |
| EP-0265041-B1 | THICKENING SYSTEM FOR CLEANING PRODUCTS INCORPORATING FLUORESCENT WHITENING AGENTS | The Clorox Company (US) | 1992-11-11 | — | — | EP | disclosed |
| EP-0265041-A2 | Thickening system for cleaning products incorporating fluorescent whitening agents | The Clorox Company (US) | 1988-04-27 | — | — | EP | disclosed |