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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ADAM33 | Q9BZ11 | 1/20 | 0.36 |
| ▸ | MMP8 | P22894 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9130890 | 0.90 | KMT2A (0.46) | KMT2AMEN1NPSR1FKBP1ALMNA | |
| SCHEMBL9129963 | 0.83 | KMT2A (0.40) | KMT2AMEN1NPSR1FKBP1AALDH1A1 | |
| SCHEMBL9129605 | 0.82 | HSD17B10 (0.43) | KMT2AMEN1NPSR1HSD17B10FKBP1A | |
| SCHEMBL9130909 | 0.78 | KMT2A (0.49) | KMT2AMEN1NPSR1FKBP1ALMNA | |
| SCHEMBL11452360 | 0.77 | FKBP1A (0.49) | KMT2AMEN1NPSR1FKBP1ALMNA | |
| SCHEMBL9130204 | 0.73 | SMN1; SMN2 (0.40) | KMT2AMEN1NPSR1HSD17B10LMNA | |
| SCHEMBL9129926 | 0.71 | KMT2A (0.42) | KMT2AMEN1NPSR1FKBP1AALDH1A1 | |
| SCHEMBL9128193 | 0.70 | HSD17B10 (0.37) | KMT2ANPSR1HSD17B10LMNAALDH1A1 | |
| SCHEMBL9128580 | 0.70 | SMN1; SMN2 (0.40) | KMT2AMEN1NPSR1HSD17B10LMNA | |
| Lithium Ion SCHEMBL9128143 | 0.70 | SMN1; SMN2 (0.40) | KMT2AMEN1NPSR1HSD17B10LMNA |
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-5440031-A | Form stable complexes with radioactive metal ions which can be eliminated from organism | Orszagos "Frederic Joliot-Curie" Sugar-biologiai es Sugaregeszsegugyi Kutato Intezet (HU) | 1995-08-08 | — | — | US | disclosed |
| EP-0463123-A1 | 1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE FOR THE REMOVAL OF TOXIC METAL IONS AND RADIOACTIVE ISOTOPES FROM THE LIVING ORGANISM | ORSZAGOS "FREDERIC JOLIOT-CURIE" SUGARBIOLOGIA ES SUGAREGESZSEGUGYI KUTATO INTEZET (HU) | 1992-01-02 | — | — | EP | disclosed |
| WO-1991010655-A1 | 1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE FOR THE REMOVAL OF TOXIC METAL IONS AND RADIOACTIVE ISOTOPES FROM THE LIVING ORGANISM | ORSZÁGOS 'FREDERIC JOLIOT-CURIE' SUGÁRBIOLÓGIAI ÉS SUGÁREGÉSZSÉGÜGYI KUTATÓ INTÉZET (HU) | 1991-07-25 | — | — | WO | disclosed |