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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1567065 | 0.85 | SMN1; SMN2 (0.40) | TSHRMAPK1MEN1KMT2APMP22 | |
| SCHEMBL3905041 | 0.85 | SMN1; SMN2 (0.40) | TSHRMAPK1MEN1KMT2APMP22 | |
| Lithium Ion SCHEMBL9898364 | 0.81 | SMN1; SMN2 (0.35) | TSHRMAPK1PMP22KDM4EMAPT | |
| Potassium Ion SCHEMBL9898849 | 0.81 | SMN1; SMN2 (0.35) | TSHRMAPK1PMP22KDM4EMAPT | |
| SCHEMBL2593277 | 0.79 | TSHR (0.56) | TSHRMAPK1MEN1KMT2ABLM | |
| SCHEMBL522377 | 0.79 | TSHR (0.56) | TSHRMAPK1MEN1KMT2ABLM | |
| SCHEMBL306714 | 0.77 | TSHR (0.48) | TSHRMAPK1MEN1KMT2APMP22 | |
| SCHEMBL389508 | 0.77 | MEN1 (0.58) | TSHRMAPK1MEN1KMT2ABLM | |
| Tetramethylammonium Ion SCHEMBL3681898 | 0.76 | BBOX1 (0.39) | KDM4EMAPTALOX15SMN1; SMN2 | |
| SCHEMBL8380756 | 0.75 | MEN1 (0.50) | TSHRMAPK1MEN1KMT2APMP22 |
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-7674930-B2 | Polyester polyol and polyurethane resin | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2010-03-09 | — | — | US | disclosed |
| US-20090247674-A1 | Polyester polyol and polyurethane resin | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2009-10-01 | — | — | US | disclosed |
| EP-1921101-A1 | POLYESTER POLYOL AND POLYURETHANE RESIN | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |