Xanthine

Xanthine

SCHEMBL2139667

CCO.O=c1[nH]c(=O)c2[nH]cnc2[nH]1

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Xanthine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 2/20 0.79
ACHE P22303 1/20 0.79
ADORA2A P29274 7/20 0.47
PDE4A P27815 6/20 0.47
PDE4B Q07343 6/20 0.47
PDE4C Q08493 6/20 0.47
PDE4D Q08499 6/20 0.47
ADORA2B P29275 4/20 0.45
ADORA3 P0DMS8 3/20 0.45
HPGD P15428 1/20 0.42
ADORA1 P30542 1/20 0.42
BLM P54132 1/20 0.42
PDE3A Q14432 1/20 0.42
HSD17B10 Q99714 1/20 0.42
XDH P47989 4/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
ALDH1A1 P00352 1/20 0.38

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
Xanthine SCHEMBL7158028 0.98 GDA (0.77) GDAACHEADORA2APDE4APDE4B
Xanthine SCHEMBL6950269 0.91 ACHE (0.82) GDAACHEADORA2APDE4APDE4B
Xanthine SCHEMBL2352524 0.89 GDA (1.00) GDAACHEADORA2APDE4APDE4B
Xanthine SCHEMBL4965 0.89 GDA (1.00) GDAACHEADORA2APDE4APDE4B
Xanthine SCHEMBL29669592 0.89 GDA (1.00) GDAACHEADORA2APDE4APDE4B
Xanthine SCHEMBL7849418 0.87 GDA (0.96) GDAACHEADORA2APDE4APDE4B
Xanthine SCHEMBL31488667 0.87 GDA (0.96) GDAACHEADORA2APDE4APDE4B
Xanthine SCHEMBL6783299 0.87 GDA (0.96) GDAACHEADORA2APDE4APDE4B
Xanthine SCHEMBL7044230 0.87 GDA (0.96) GDAACHEADORA2APDE4APDE4B
Xanthine SCHEMBL31152020 0.87 GDA (0.96) GDAACHEADORA2APDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 US disclosed
US-20090269313-A1 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2009-10-29 US disclosed
WO-2009099582-A2 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 US disclosed
WO-2008011518-A2 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2008-01-24 WO disclosed
WO-2007146786-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING B-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed
EP-1841448-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION Diakine Therapeutics, Inc. (US) 2007-10-10 EP disclosed
US-20060160736-A1 Pharmaceutical compositions and methods for restoring beta-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2006-07-20 US disclosed
WO-2006074051-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING β-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed
US-5473070-A Cell stimulus response modulators CELL THERAPEUTICS, INC. (US) 1995-12-05 US disclosed
US-5473070-A Cell stimulus response modulators CELL THERAPEUTICS, INC. (US) 1995-12-05 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 (5 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-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 GDA 3426/4885ACHE 1972/4885ADORA2A 3813/4885
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 GDA 2928/4885ACHE 2069/4885ADORA2A 3888/4885
US-20090269313-A1 ENCAPSULATION SYSTEM GPR119, IAPP, LIPA GDA 2699/4885ACHE 3002/4885ADORA2A 1825/4885
US-20060160736-A1 Pharmaceutical compositions and methods for restoring beta-cell mass and function IAPP, PNLIP, AMY2A GDA 3491/4885ACHE 756/4885ADORA2A 1064/4885
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION IAPP, PNLIP, AMY2A GDA 3491/4885ACHE 756/4885ADORA2A 1064/4885

“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.