SCHEMBL1902605

SCHEMBL1902605

O=P(O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(S)nc(O)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.65
ENPP1 P22413 2/20 0.65
P2RY12 Q9H244 2/20 0.65
P2RX3 P56373 5/20 0.64
P2RX4 Q99571 3/20 0.64
P2RX1 P51575 2/20 0.64
P2RY6 Q15077 1/20 0.64
P2RY11 Q96G91 1/20 0.64
P2RX2 Q9UBL9 3/20 0.63
RNASEL Q05823 2/20 0.61
P2RY2 P41231 2/20 0.60
SRC P12931 1/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GPR17 Q13304 2/20 0.59
NT5E P21589 1/20 0.59

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
SCHEMBL1904678 0.99 P2RY1 (0.66) P2RY1ENPP1P2RY12P2RX3P2RX4
SCHEMBL1904667 0.92 CA5A (0.66) P2RY1P2RY11RNASELP2RY2SRC
SCHEMBL10454900 0.90 P2RY1 (0.67) P2RY1ENPP1P2RY12P2RX3P2RX4
SCHEMBL10048581 0.90 P2RY1 (0.69) P2RY1ENPP1P2RY12P2RX3P2RX4
SCHEMBL10017676 0.90 P2RY1 (0.69) P2RY1ENPP1P2RY12P2RX3P2RX4
SCHEMBL14625239 0.90 P2RY1 (0.69) P2RY1ENPP1P2RY12P2RX3P2RX4
SCHEMBL2619749 0.90 P2RY1 (0.69) P2RY1ENPP1P2RY12P2RX3P2RX4
SCHEMBL625182 0.89 P2RY1 (0.68) P2RY1ENPP1P2RY12P2RX3P2RX4
SCHEMBL15794408 0.88 P2RY1 (0.79) P2RY1ENPP1P2RY12P2RX3P2RX4
SCHEMBL1905822 0.87 P2RX3 (0.72) P2RY1P2RX3P2RX4P2RX1P2RY11

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 53 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-11160863-B2 Methods of disease activity profiling for personalized therapy management PROMETHEUS LABORATORIES INC. (US) 2021-11-02 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
EP-2494352-B1 ASSAYS FOR THE DETECTION OF ANTI-TNF DRUGS AND AUTOANTIBODIES PROMETHEUS BIOSCIENCES INC (US) 2020-04-08 EP disclosed
US-10571467-B2 Methods for prediction of anti-TNFα drug levels and autoantibody formation Prometheus Biosiences, Inc. (US) 2020-02-25 US disclosed
US-10386366-B2 Assays for the detection of anti-TNF drugs and autoantibodies Société des Produits Nestlé S.A. (CH) 2019-08-20 US disclosed
EP-2630495-A1 METHODS FOR DETERMINING ANTI-DRUG ANTIBODY ISOTYPES Nestec (CH) 2013-08-28 EP 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