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SCHEMBL11430202

SCHEMBL11430202

O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O.O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O.O=P([O-])([O-])OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O.[Na+].[Na+]

nearest known ligand 0.72

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)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 known ✓ P47900 6/20 0.72
▸ ADORA1 known ✓ P30542 2/20 0.72
▸ P2RY2 known ✓ P41231 2/20 0.72
▸ PDE4D known ✓ Q08499 1/20 0.72
▸ PDE3A known ✓ Q14432 1/20 0.72
▸ DNPH1 O43598 8/20 0.72
▸ TAS1R3 Q7RTX0 3/20 0.72
▸ TAS1R1 Q7RTX1 3/20 0.72
▸ P2RY11 Q96G91 2/20 0.72
▸ SRC P12931 2/20 0.72
▸ PRKAB2 O43741 1/20 0.72
▸ TRPM2 O94759 1/20 0.72
▸ LDHA P00338 1/20 0.72
▸ ADRB2 P07550 1/20 0.72
▸ FBP1 P09467 1/20 0.72
▸ PRKAG1 P54619 1/20 0.72
▸ PRKAA2 P54646 1/20 0.72
▸ KCNH2 Q12809 1/20 0.72
▸ PRKAA1 Q13131 1/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.72

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL316941 0.96 ADORA1 (0.69) DNPH1P2RY1TAS1R3TAS1R1ADORA1
SCHEMBL29556100 0.96 ADORA1 (0.69) DNPH1P2RY1TAS1R3TAS1R1ADORA1
Phosphoric Acid SCHEMBL29688816 0.95 DNPH1 (0.73) DNPH1P2RY1TAS1R3TAS1R1ADORA1
Silver SCHEMBL10622971 0.95 ADORA1 (0.68) DNPH1P2RY1TAS1R3TAS1R1ADORA1
SCHEMBL4280989 0.95 ADORA1 (0.68) DNPH1P2RY1TAS1R3TAS1R1ADORA1
Water SCHEMBL23878697 0.95 ADORA1 (0.68) DNPH1P2RY1TAS1R3TAS1R1ADORA1
SCHEMBL1030877 0.95 ADORA1 (0.68) DNPH1P2RY1TAS1R3TAS1R1ADORA1
Potassium Ion SCHEMBL247204 0.95 ADORA1 (0.68) DNPH1P2RY1TAS1R3TAS1R1ADORA1
SCHEMBL11579365 0.95 ADORA1 (0.68) DNPH1P2RY1TAS1R3TAS1R1ADORA1
Water SCHEMBL11897097 0.95 ADORA1 (0.68) DNPH1P2RY1TAS1R3TAS1R1ADORA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4202908-A Synthetic, granular food caviar and method of preparing same INSTITUT ELEMENTOORGANICHESKIH SOEDINENY (SU) 1980-05-13 — — US disclosed