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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GALR3 | O60755 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1498219 | 0.85 | TSHR (0.50) | TSHRALDH1A1THRBGALR3 | |
| Bromide SCHEMBL17536050 | 0.83 | TSHR (0.48) | TSHRALDH1A1THRBGALR3 | |
| SCHEMBL28044392 | 0.83 | TSHR (0.48) | TSHRALDH1A1THRBGALR3 | |
| Iodide SCHEMBL21253234 | 0.83 | TSHR (0.48) | TSHRALDH1A1THRBGALR3 | |
| Hydrochloric Acid SCHEMBL10629539 | 0.83 | THRB (0.50) | TSHRALDH1A1THRBGALR3 | |
| SCHEMBL1262355 | 0.80 | TSHR (0.42) | TSHRALDH1A1THRBGALR3 | |
| Methacrylic Acid SCHEMBL28074139 | 0.80 | THRB (0.44) | TSHRALDH1A1THRBGALR3 | |
| SCHEMBL5145800 | 0.77 | THRB (0.42) | TSHRALDH1A1THRB | |
| SCHEMBL11760936 | 0.76 | TSHR (0.39) | TSHRALDH1A1THRBGALR3 | |
| Phosphoric Acid SCHEMBL1942617 | 0.74 | THRB (0.46) | TSHRALDH1A1THRB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080305457-A1 | Methods of Applying Dental Agents to Dental Surfaces and Polymer Compositions | 3M INNOVATIVE PROPERTIES COMPANY | 2008-12-11 | — | — | US | disclosed |
| US-20080299520-A1 | Foamable Dental Compositions and Methods | 3M INNOVATIVE PROPERITES COMPANY | 2008-12-04 | — | — | US | disclosed |
| EP-1968478-A1 | METHODS OF APPLYING DENTAL AGENTS TO DENTAL SURFACES AND POLYMER COMPOSITIONS | 3M Innovative Properties Company (US) | 2008-09-17 | — | — | EP | disclosed |
| EP-1968526-A1 | FOAMABLE DENTAL COMPOSITIONS AND METHODS | 3M Innovative Properties Company (US) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007079170-A1 | METHODS OF APPLYING DENTAL AGENTS TO DENTAL SURFACES AND POLYMER COMPOSITIONS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2007-07-12 | — | — | WO | disclosed |
| WO-2007079069-A1 | FOAMABLE DENTAL COMPOSITIONS AND METHODS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2007-07-12 | — | — | WO | disclosed |