Thioinosine Monophosphate

Thioinosine Monophosphate

SCHEMBL6368891

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

nearest known ligand 0.68

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Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Thioinosine Monophosphate. 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
ADORA1 known ✓ P30542 2/20 0.68
P2RY1 known ✓ P47900 8/20 0.65
P2RY2 known ✓ P41231 3/20 0.64
PDE4D known ✓ Q08499 1/20 0.64
PDE3A known ✓ Q14432 1/20 0.64
P2RY11 Q96G91 3/20 0.65
ENPP1 P22413 3/20 0.65
SRC P12931 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
DNPH1 O43598 2/20 0.64
TAS1R3 Q7RTX0 2/20 0.64
TAS1R1 Q7RTX1 2/20 0.64
PRKAB2 O43741 1/20 0.64
TRPM2 O94759 1/20 0.64
LDHA P00338 1/20 0.64
ADRB2 P07550 1/20 0.64
FBP1 P09467 1/20 0.64
PRKAG1 P54619 1/20 0.64
PRKAA2 P54646 1/20 0.64
KCNH2 Q12809 1/20 0.64

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
Thioinosine Monophosphate SCHEMBL15810629 0.91 DNPH1 (0.77) ADORA1P2RY1P2RY11P2RY2SRC
Thioinosine Monophosphate SCHEMBL29746215 0.91 DNPH1 (0.77) ADORA1P2RY1P2RY11P2RY2SRC
Thioinosine Monophosphate SCHEMBL379366 0.91 DNPH1 (0.77) ADORA1P2RY1P2RY11P2RY2SRC
Thioinosine Monophosphate SCHEMBL379365 0.91 DNPH1 (0.77) ADORA1P2RY1P2RY11P2RY2SRC
SCHEMBL29556100 0.88 ADORA1 (0.69) ADORA1P2RY1P2RY11ENPP1P2RY2
SCHEMBL316941 0.88 ADORA1 (0.69) ADORA1P2RY1P2RY11ENPP1P2RY2
Water SCHEMBL23878697 0.88 ADORA1 (0.68) ADORA1P2RY1P2RY11ENPP1P2RY2
Adenosine Phosphate SCHEMBL353218 0.88 P2RY1 (0.83) ADORA1P2RY1P2RY11ENPP1P2RY2
SCHEMBL1030877 0.88 ADORA1 (0.68) ADORA1P2RY1P2RY11ENPP1P2RY2
Potassium Ion SCHEMBL247204 0.88 ADORA1 (0.68) ADORA1P2RY1P2RY11ENPP1P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867199-B2 Dinucleoside polyphosphate compositions and their therapeutic use INSPIRE PHARMACEUTICALS, INC. (US) 2005-03-15 US disclosed
US-20030207825-A1 Dinucleoside polyphosphate compositions and their therapeutic use Outdoor Wireless Networks LLC 2003-11-06 US disclosed
US-6555675-B2 Dinucleoside polyphosphates which facilitate secretory mechanisms, i.e. increasing the hydration of mucus secretions, stimulating the production of mucins and increasing ciliary beat frequency to facilitate clearance INSPIRE PHARMACEUTICALS, INC. 2003-04-29 US disclosed
US-20020103158-A1 Dinucleoside polyphosphate compositions and their therapeutic use as purinergic receptor agonists INSPIRE PHARMACEUTICALS, INC. 2002-08-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020103158-A1 Dinucleoside polyphosphate compositions and their therapeutic use as purinergic receptor agonists P2RY1, P2RY10, P2RX3 ADORA1 48/4885P2RY1 1/4885P2RY2 5/4885
US-20030207825-A1 Dinucleoside polyphosphate compositions and their therapeutic use P2RY1, P2RY10, P2RY11 ADORA1 24/4885P2RY1 1/4885P2RY2 5/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.