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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.40 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL9128143 | 0.96 | SMN1; SMN2 (0.40) | SMN1; SMN2CA12CA1CA9HSD17B10 | |
| SCHEMBL9128591 | 0.96 | SMN1; SMN2 (0.40) | SMN1; SMN2CA12CA1CA9HSD17B10 | |
| SCHEMBL9128580 | 0.96 | SMN1; SMN2 (0.40) | SMN1; SMN2CA12CA1CA9HSD17B10 | |
| Potassium Ion SCHEMBL9130747 | 0.96 | SMN1; SMN2 (0.40) | SMN1; SMN2CA12CA1CA9HSD17B10 | |
| SCHEMBL9133356 | 0.96 | SMN1; SMN2 (0.40) | SMN1; SMN2CA12CA1CA9HSD17B10 | |
| Zinc Ion SCHEMBL9132958 | 0.96 | SMN1; SMN2 (0.40) | SMN1; SMN2CA12CA1CA9HSD17B10 | |
| SCHEMBL9128193 | 0.92 | HSD17B10 (0.37) | SMN1; SMN2CA12CA1CA9HSD17B10 | |
| SCHEMBL9130141 | 0.89 | KMT2A (0.41) | SMN1; SMN2CA12CA1CA9HSD17B10 | |
| Potassium Ion SCHEMBL9128549 | 0.85 | KMT2A (0.41) | SMN1; SMN2HSD17B10PKMKMT2AALDH1A1 | |
| SCHEMBL9620663 | 0.77 | HSD17B10 (0.45) | SMN1; SMN2CA12CA1CA9HSD17B10 |
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-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 |
| US-5288718-A | Desorption the formed complexes by administering tetraoxa-diazacyclooctadecane dimalonic acid tetrasodium salt | ORSZAGOS "FREDERIC JOLIOT-CURIE" SUGARBIOLOGIAI ES SUGAREGESZSEGUGYI KUTATO INTEZET (HU) | 1994-02-22 | — | — | 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 |
| EP-0426824-A1 | METHOD FOR THE PREPARATION OF ACTIVE INGREDIENTS AND PHARMACEUTICAL COMPOSITIONS FOR DECORPORATING RADIOACTIVE ISOTOPES FROM LIVING ORGANISMS | ORSZAGOS "FREDERIC JOLIOT-CURIE" SUGARBIOLOGIA ES SUGAREGESZSEGUGYI KUTATO INTEZET (HU) | 1991-05-15 | — | — | EP | disclosed |
| WO-1990014343-A1 | METHOD FOR THE PREPARATION OF ACTIVE INGREDIENTS AND PHARMACEUTICAL COMPOSITIONS FOR DECORPORATING RADIOACTIVE ISOTOPES FROM LIVING ORGANISMS | ORSZÁGOS 'FREDERIC JOLIOT-CURIE' SUGÁRBIOLÓGIAI ÉS SUGÁREGÉSZSÉGÜGYI KUTATÓ INTÉZET (HU) | 1990-11-29 | — | — | WO | disclosed |