Adenosine Triphosphate

Adenosine Triphosphate

SCHEMBL811713

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

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 6/20 0.72
P2RX3 P56373 3/20 0.72
P2RX2 Q9UBL9 3/20 0.72
P2RY2 P41231 2/20 0.72
P2RX1 P51575 2/20 0.72
P2RX4 Q99571 2/20 0.72
SRC P12931 1/20 0.72
ALDH1A1 P00352 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
RNASEL Q05823 1/20 0.69
ADH1A P07327 1/20 0.69
MACROD2 A1Z1Q3 1/20 0.68
SIRT6 Q8N6T7 1/20 0.68
MACROD1 Q9BQ69 1/20 0.68
TRPM2 O94759 1/20 0.68
NADK O95544 1/20 0.68
ENPP1 P22413 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 0.94 ADH1A (0.75) P2RY1P2RX3P2RX2P2RY2P2RX1
Adenosine Diphosphate SCHEMBL570243 0.93 ADH1A (0.74) P2RY1P2RX3P2RX2P2RY2P2RX1
Adenosine Phosphate SCHEMBL810818 0.93 DNPH1 (0.75) P2RY1P2RX3P2RX2P2RY2P2RX1
Adenosine Triphosphate SCHEMBL28252560 0.89 P2RY1 (0.91) P2RY1P2RX3P2RX2P2RY2P2RX1
SCHEMBL811714 0.88 P2RY1 (0.63) P2RY1P2RX3P2RX2P2RY2P2RX1
SCHEMBL810819 0.88 P2RY1 (0.69) P2RY1P2RX3P2RX2P2RY2P2RX1
Adenosine Triphosphate SCHEMBL27523063 0.88 P2RY1 (0.91) P2RY1P2RX3P2RX2P2RY2P2RX1
Adenosine Triphosphate SCHEMBL13722152 0.87 P2RY1 (0.94) P2RY1P2RX3P2RX2P2RY2P2RX1
Adenosine Triphosphate SCHEMBL18784961 0.87 P2RY1 (0.94) P2RY1P2RX3P2RX2P2RY2P2RX1
Adenosine Triphosphate SCHEMBL13722139 0.87 P2RY1 (0.94) P2RY1P2RX3P2RX2P2RY2P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040081672-A1 Niacinamide, niacin, and niacin esters based delivery systems for treating topical disorders of skin and skin aging GUPTA SHYAM K (US) 2004-04-29 US claimed
US-20160220536-A1 USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION UNIV OHIO (US) 2016-08-04 US disclosed
US-9326972-B2 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression OHIO UNIVERSITY (US) 2016-05-03 US disclosed
US-20120238610-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression OHIO UNIVERSITY 2012-09-20 US disclosed
EP-2399578-A1 Methods and compositions for the treatment of autoimmune and inflammatory diseases associated with toll-like receptors The Interthyr Corporation (US) 2011-12-28 EP disclosed
US-20100004304-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MALIGNANT MELANOMA, BREAST, PROSTATE, COLON, PAPILLARY THYROID AND PANCREATIC CANCER OHIO UNIVERSITY 2010-01-07 US disclosed
EP-1896015-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTORS The Interthyr Corporation (US) 2008-03-12 EP disclosed
WO-2006124676-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTORS THE INTERTHYR CORPORATION (US) 2006-11-23 WO disclosed
US-20060211752-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression BENAVIDES-PERALTA, URUGUAYSITO LORELEY (UY) 2006-09-21 US disclosed
US-20060147508-A1 Concurrent Enhancement of Skin Penetration of Organic Base Active Agents and Organic Hydroxy Acid Active Agents as Their Ion-Pair Complexes BIODERM RESEARCH (US) 2006-07-06 US disclosed
US-20040081672-A1 Niacinamide, niacin, and niacin esters based delivery systems for treating topical disorders of skin and skin aging GUPTA SHYAM K (US) 2004-04-29 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 (4 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-20060211752-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression TLR3, IRF3, TLR4 P2RY1 397/4885P2RX3 545/4885P2RX2 1072/4885
US-20120238610-A1 Use of phenylmethimazoles, methimazole derivatives, and tautomeric cyclic thiones for the treatment of autoimmune/inflammatory diseases associated with toll-like receptor overexpression IRF3, TLR3, TLR4 P2RY1 590/4885P2RX3 775/4885P2RX2 1433/4885
US-20160220536-A1 USE OF PHENYLMETHIMAZOLES, METHIMAZOLE DERIVATIVES, AND TAUTOMERIC CYCLIC THIONES FOR THE TREATMENT OF AUTOIMMUNE/INFLAMMATORY DISEASES ASSOCIATED WITH TOLL-LIKE RECEPTOR OVEREXPRESSION IRF3, TLR3, TLR4 P2RY1 590/4885P2RX3 775/4885P2RX2 1433/4885
US-20100004304-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MALIGNANT MELANOMA, BREAST, PROSTATE, COLON, PAPILLARY THYROID AND PANCREATIC CANCER STAT3, STAT6, TLR3 P2RY1 2570/4885P2RX3 1449/4885P2RX2 2746/4885

“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.