Adenosine Diphosphate

Adenosine Diphosphate

SCHEMBL570243

NC(=O)c1cccnc1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.74
NADK O95544 2/20 0.73
P2RY1 P47900 3/20 0.71
P2RY2 P41231 2/20 0.71
SRC P12931 1/20 0.71
P2RX1 P51575 1/20 0.71
P2RX3 P56373 1/20 0.71
P2RX4 Q99571 1/20 0.71
P2RX2 Q9UBL9 1/20 0.71
ALDH1A1 P00352 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
RNASEL Q05823 1/20 0.68
IMPDH2 P12268 3/20 0.68
IMPDH1 P20839 3/20 0.68
MACROD2 A1Z1Q3 1/20 0.67
SIRT6 Q8N6T7 1/20 0.67
MACROD1 Q9BQ69 1/20 0.67
TRPM2 O94759 1/20 0.67

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
Adenosine Triphosphate SCHEMBL811698 0.99 ADH1A (0.75) ADH1ANADKP2RY1P2RY2SRC
Adenosine Phosphate SCHEMBL160972 0.94 P2RY1 (0.75) ADH1ANADKP2RY1P2RY2SRC
Adenosine Phosphate SCHEMBL27419541 0.94 P2RY1 (0.75) ADH1ANADKP2RY1P2RY2SRC
Adenosine Triphosphate SCHEMBL811713 0.93 P2RY1 (0.72) ADH1ANADKP2RY1P2RY2SRC
Adenosine Diphosphate SCHEMBL11326192 0.92 ADH1A (0.64) ADH1ANADKP2RY1P2RY2SRC
Niacinamide SCHEMBL28249016 0.89 ADH1A (0.66) ADH1ANADKP2RY1P2RY2SRC
SCHEMBL811714 0.89 P2RY1 (0.63) ADH1ANADKP2RY1P2RY2SRC
SCHEMBL810819 0.89 P2RY1 (0.69) ADH1ANADKP2RY1P2RY2SRC
Adenosine Phosphate SCHEMBL810818 0.88 DNPH1 (0.75) ADH1AP2RY1P2RY2SRCP2RX1
Niacinamide SCHEMBL14861027 0.87 ADH1A (0.84) ADH1ANADKP2RY1P2RY2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005017134-A2 ISOZYME OF AUTOCLAVABLE SUPEROXIDE DISMUTASE (SOD) DERIVED FROM CURCUMA LONGA L COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-02-24 WO claimed
US-20030064494-A1 Novel isozyme of autoclavable superoxide dismutase (SOD), a process for the identification and extraction of the SOD and use of the said SOD in cosmetic, food, and pharmaceutical compositions COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2003-04-03 US claimed
US-6485950-B1 Isozyme of autoclavable superoxide dismutase (SOD), a process for the identification and extraction of the SOD in cosmetic, food and pharmaceutical compositions COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-11-26 US claimed
CN-115624563-A Application of nicotinamide mononucleotide to preparation of medicine or health-care product for preventing or treating occupational silicosis 四川大学 2023-01-20 CN disclosed
US-20180147186-A1 BENDAMUSTINE DERIVATIVES AND METHODS OF USING SAME IGNYTA, INC. (US) 2018-05-31 US disclosed
US-9913827-B2 Bendamustine derivatives and methods of using same IGNYTA, INC. (US) 2018-03-13 US disclosed
US-20170182008-A1 BENDAMUSTINE DERIVATIVES AND METHODS OF USING SAME IGNYTA, INC. (US) 2017-06-29 US disclosed
US-9630926-B2 Bendamustine derivatives and methods of using same IGNYTA, INC. (US) 2017-04-25 US disclosed
US-20160289198-A1 BENDAMUSTINE DERIVATIVES AND METHODS OF USING SAME IGNYTA, INC. (US) 2016-10-06 US disclosed
US-9452988-B2 Bendamustine derivatives and methods of using same IGNYTA, INC. (US) 2016-09-27 US disclosed
WO-2016131320-A1 USE OF NADPH IN PREPARING MEDICINES FOR TREATMENT OF HEART DISEASES 苏州人本药业有限公司 2016-08-25 WO disclosed
US-20020142006-A1 Chimeric nontoxic mutants of enterotoxins as mucosal adjuvants for cell-mediated or humoral immunity MCGHEE JERRY R (US) 2002-10-03 US disclosed
WO-2001070257-A1 CHIMERIC NONTOXIC MUTANTS OF ENTEROTOXINS AS MUCOSAL ADJUVANTS FOR CELL-MEDIATED OR HUMORAL IMMUNITY UAB RESEARCH FOUNDATION (US) 2001-09-27 WO disclosed
EP-0531447-B1 COMPOSITIONS AND METHODS FOR MODULATING RNA ACTIVITY THROUGH MODIFICATION OF THE 5' CAP STRUCTURE OF RNA ISIS PHARMACEUTICALS INC (US) 1999-11-10 EP disclosed
US-5643780-A CONTROLLING PROTEIN EXPRESSION IN CELLS ISIS PHARMACEUTICALS, INC. (US) 1997-07-01 US disclosed
EP-0531447-A4 COMPOSITIONS AND METHODS FOR MODULATING RNA ACTIVITY THROUGH MODIFICATION OF THE 5' CAP STRUCTURE OF RNA 1993-08-11 EP disclosed
EP-0531447-A1 COMPOSITIONS AND METHODS FOR MODULATING RNA ACTIVITY THROUGH MODIFICATION OF THE 5' CAP STRUCTURE OF RNA ISIS PHARMACEUTICALS, INC. (US) 1993-03-17 EP disclosed
WO-1991017755-A1 COMPOSITIONS AND METHODS FOR MODULATING RNA ACTIVITY THROUGH MODIFICATION OF THE 5' CAP STRUCTURE OF RNA ISIS PHARMACEUTICALS, INC. (US) 1991-11-28 WO disclosed
US-4614770-A HYDROCYANATION OF CARBONYL, THIOCARBONYL OR IMINO GROUPS; POLYMERS BEARING PYRIDINE-NUCLEUS RING SUBSTITUTED BY CARBOXAMIDE GROUPS ALLIED CORPORATION (US) 1986-09-30 US disclosed
US-4614769-A NADH2 mimics as chiral pseudohydrogenases ALLIED CORPORATION (US) 1986-09-30 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 (3 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-20170182008-A1 BENDAMUSTINE DERIVATIVES AND METHODS OF USING SAME FLT4, MET, FOLR2 ADH1A 2078/4885NADK 1471/4885P2RY1 3763/4885
US-20160289198-A1 BENDAMUSTINE DERIVATIVES AND METHODS OF USING SAME FLT4, MET, FOLR2 ADH1A 2078/4885NADK 1471/4885P2RY1 3763/4885
US-20180147186-A1 BENDAMUSTINE DERIVATIVES AND METHODS OF USING SAME FLT4, MET, FOLR2 ADH1A 2078/4885NADK 1471/4885P2RY1 3763/4885

“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.