SCHEMBL1905822

SCHEMBL1905822

O=P(O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(S)ncnc32)C(O)C1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.72
P2RY1 P47900 6/20 0.72
P2RX2 Q9UBL9 6/20 0.72
P2RY2 P41231 3/20 0.72
P2RX1 P51575 3/20 0.72
P2RX4 Q99571 2/20 0.72
SRC P12931 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
ALDH1A1 P00352 2/20 0.72
RNASEL Q05823 1/20 0.69
TRPM2 O94759 2/20 0.68
MACROD2 A1Z1Q3 1/20 0.68
SIRT6 Q8N6T7 1/20 0.68
MACROD1 Q9BQ69 1/20 0.68
GPR17 Q13304 1/20 0.67
DNPH1 O43598 1/20 0.66
PRKAB2 O43741 1/20 0.66
LDHA P00338 1/20 0.66
ADRB2 P07550 1/20 0.66
FBP1 P09467 1/20 0.66

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
SCHEMBL1905818 1.00 P2RX3 (0.72) P2RX3P2RY1P2RX2P2RY2P2RX1
SCHEMBL1906288 0.99 P2RY1 (0.74) P2RX3P2RY1P2RX2P2RY2P2RX1
SCHEMBL1906291 0.99 P2RY1 (0.74) P2RX3P2RY1P2RX2P2RY2P2RX1
Thioinosine Monophosphate SCHEMBL29746215 0.92 DNPH1 (0.77) P2RX3P2RY1P2RX2P2RY2P2RX1
Thioinosine Monophosphate SCHEMBL379365 0.92 DNPH1 (0.77) P2RX3P2RY1P2RX2P2RY2P2RX1
Thioinosine Monophosphate SCHEMBL379366 0.92 DNPH1 (0.77) P2RX3P2RY1P2RX2P2RY2P2RX1
Thioinosine Monophosphate SCHEMBL15810629 0.92 DNPH1 (0.77) P2RX3P2RY1P2RX2P2RY2P2RX1
SCHEMBL3862068 0.91 P2RX3 (0.61) P2RX3P2RY1P2RX2P2RY2P2RX1
SCHEMBL3859612 0.90 P2RY1 (0.67) P2RX3P2RY1P2RX2P2RY2P2RX1
SCHEMBL3857478 0.89 P2RY1 (0.66) P2RX3P2RY1P2RX2P2RY2P2RX1

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12485171-B2 Methods of disease activity profiling for personalized therapy management PROMETHEUS LABORATORIES INC. (US) 2025-12-02 US disclosed
US-20230078652-A1 METHODS FOR PREDICTION OF ANTI-TNF ALPHA DRUG LEVELS AND AUTOANTIBODY FORMATION PROMETHEUS LABORATORIES INC (US) 2023-03-16 US disclosed
US-11435347-B2 Methods for prediction of anti-TNF α drug levels and autoantibody formation PROMETHEUS LABORATORIES INC. (US) 2022-09-06 US disclosed
US-20220096629-A1 METHODS OF DISEASE ACTIVITY PROFILING FOR PERSONALIZED THERAPY MANAGEMENT PROMETHEUS LABORATORIES INC. 2022-03-31 US disclosed
US-11219895-B2 Blood analysis cartridge KING ABDULAZIZ UNIVERSITY (SA) 2022-01-11 US disclosed
US-11160863-B2 Methods of disease activity profiling for personalized therapy management PROMETHEUS LABORATORIES INC. (US) 2021-11-02 US disclosed
US-20210308674-A1 BLOOD ANALYSIS CARTRIDGE KING ABDULAZIZ UNIVERSITY (SA) 2021-10-07 US disclosed
US-20210001333-A1 MICROFLUIDIC DEVICE FOR MEASURING THE ENZYMATIC ACTIVITY OF THIOPURIN S-METHYLTRANSFERASE KING ABDULAZIZ UNIVERSITY (SA) 2021-01-07 US disclosed
US-10794906-B2 Assays for detecting neutralizing autoantibodies to biologic therapy PROMETHEUS BIOSCIENCES, INC. (US) 2020-10-06 US disclosed
US-20200158725-A1 METHODS FOR PREDICTION OF ANTI-TNF ALPHA DRUG LEVELS AND AUTOANTIBODY FORMATION PROMETHEUS LABORATORIES INC. 2020-05-21 US disclosed
WO-2013006810-A1 ASSAYS FOR DETECTING NEUTRALIZING AUTOANTIBODIES TO BIOLOGIC THERAPY WITH TNF ALPHA NESTEC SA (CH) 2013-01-10 WO disclosed
US-20120329172-A1 ASSAYS FOR THE DETECTION OF ANTI-TNF DRUGS AND AUTOANTIBODIES PROMETHEUS LABORATORIES INC. (US) 2012-12-27 US disclosed
WO-2012154987-A1 METHODS OF DISEASE ACTIVITY PROFILING FOR PERSONALIZED THERAPY MANAGEMENT NESTEC SA (US) 2012-11-15 WO disclosed
WO-2012154253-A1 ASSAYS FOR DETECTING AUTOANTIBODIES TO ANTI-TNFα DRUGS PROMETHEUS LABORATORIES INC. (US) 2012-11-15 WO disclosed
EP-2494352-A1 ASSAYS FOR THE DETECTION OF ANTI-TNF DRUGS AND AUTOANTIBODIES Prometheus Laboratories Inc. (US) 2012-09-05 EP disclosed
WO-2012054532-A1 METHODS FOR DETERMINING ANTI-DRUG ANTIBODY ISOTYPES PROMETHEUS LABORATORIES INC. (US) 2012-04-26 WO disclosed
US-7972780-B2 Inosine triphosphate pyrophosphatase (ITPase); predicting tolerance to a thiopurine drug via genotyping; for chronic inflammatory disease and haematological malignancy GUY'S AND ST. THOMAS' NHS FOUNDATION TRUST (GB) 2011-07-05 US disclosed
WO-2011056590-A1 ASSAYS FOR THE DETECTION OF ANTI-TNF DRUGS AND AUTOANTIBODIES PROMETHEUS LABORATORIES INC. (US) 2011-05-12 WO disclosed
US-20050202483-A1 ITPase gene polymorphisms associated with adverse durg reactions to azathioprine therapy GUY'S AND ST. THOMAS' NHS FOUNDATION TRUST (GB) 2005-09-15 US disclosed
WO-2005078125-A2 ITPASE GENE POLYMORPHISMS ASSOCIATED WITH ADVERSE DRUG REACTIONS TO AZATHIOPRINE THERAPY GUY'S AND ST. THOMAS' NHS FOUNDATION TRUST (GB) 2005-08-25 WO disclosed