Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 12/20 | 0.71 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.67 |
| ▸ | ADORA2B known ✓ | P29275 | 1/20 | 0.67 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.67 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | NT5E | P21589 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL271016 | 0.99 | ADORA2A (0.72) | ADORA2AADORA3ADORA2BADORA1ADRA1A | |
| SCHEMBL4539668 | 0.99 | ADORA2A (0.72) | ADORA2AADORA3ADORA2BADORA1ADRA1A | |
| SCHEMBL15158228 | 0.99 | ADORA2A (0.72) | ADORA2AADORA3ADORA2BADORA1ADRA1A | |
| SCHEMBL15158230 | 0.91 | ADORA2A (0.70) | ADORA2AADORA3ADORA2BADORA1ADRA1A | |
| SCHEMBL271324 | 0.91 | ADORA2A (0.70) | ADORA2AADORA3ADORA2BADORA1ADRA1A | |
| SCHEMBL2367515 | 0.91 | ADORA2A (0.70) | ADORA2AADORA3ADORA2BADORA1ADRA1A | |
| SCHEMBL2883494 | 0.86 | ADORA2A (0.65) | ADORA2AADORA3ADORA2BADORA1ADRA1A | |
| SCHEMBL1985230 | 0.84 | ADORA2A (0.64) | ADORA2AADORA3ADORA2BADORA1ADRA1A | |
| SCHEMBL3949118 | 0.84 | ADORA3 (0.72) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL18556282 | 0.83 | ADORA2A (0.80) | ADORA2AADORA3ADORA2BADORA1ADRA1A |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE47301-E1 | Process for preparing an A2A-adenosine receptor agonist and its polymorphs | GILEAD SCIENCES, INC. (US) | 2019-03-19 | — | — | US | disclosed |
| EP-1989214-B1 | PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS | GILEAD SCIENCES INC (US) | 2016-06-22 | — | — | EP | disclosed |
| US-9085601-B2 | Process for preparing an A2A-adenosine receptor agonist and its polymorphs | GILEAD SCIENCES, INC. (US) | 2015-07-21 | — | — | US | disclosed |
| EP-2158208-B1 | PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS | GILEAD SCIENCES INC (US) | 2015-04-08 | — | — | EP | disclosed |
| US-20140213539-A1 | PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS | GILEAD SCIENCES, INC. (US) | 2014-07-31 | — | — | US | disclosed |
| US-8524883-B2 | Monohydrate of (1-{9-[4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide | GILEAD SCIENCES, INC. (US) | 2013-09-03 | — | — | US | disclosed |
| EP-2581381-A2 | Process for preparing an A2A-adenosine receptor agonist and its polymorphs | GILEAD SCIENCES, INC. (US) | 2013-04-17 | — | — | EP | disclosed |
| US-8268988-B2 | Process for preparing an A2A-adenosine receptor agonist and its polymorphs | GILEAD SCIENCES, INC. (US) | 2012-09-18 | — | — | US | disclosed |
| US-20120165350-A1 | PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS | GILEAD SCIENCES, INC. | 2012-06-28 | — | — | US | disclosed |
| US-8106183-B2 | Process for preparing an A2A-adenosine receptor agonist and its polymorphs | GILEAD SCIENCES, INC. (US) | 2012-01-31 | — | — | US | disclosed |
| US-20110257387-A1 | PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS | GILEAD SCIENCES, INC. | 2011-10-20 | — | — | US | disclosed |
| US-7956179-B2 | Process for preparing an A2A-adenosine receptor agonist and its polymorphs | GILEAD SCIENCES, INC. (US) | 2011-06-07 | — | — | US | disclosed |
| US-20100267953-A1 | PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS | GILEAD PALO ALTO, INC. | 2010-10-21 | — | — | US | disclosed |
| US-20100179313-A1 | PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS | GILEAD PALO ALTO, INC. | 2010-07-15 | — | — | US | disclosed |
| US-7732595-B2 | (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress | GILEAD PALO ALTO, INC. (US) | 2010-06-08 | — | — | US | disclosed |
| US-7671192-B2 | (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress | GILEAD PALO ALTO, INC. (US) | 2010-03-02 | — | — | US | disclosed |
| EP-1989214-A1 | PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS | CV THERAPEUTICS, INC. (US) | 2008-11-12 | — | — | EP | disclosed |
| US-20070265445-A1 | (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress | GILEAD SCIENCES, INC. | 2007-11-15 | — | — | US | disclosed |
| US-20070225247-A1 | (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress | GILEAD SCIENCES, INC. | 2007-09-27 | — | — | US | disclosed |
| WO-2007092372-A1 | PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS | CV THERAPEUTICS, INC. (US) | 2007-08-16 | — | — | WO | 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 (7 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070265445-A1 | (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress | ADORA2A, ADORA3, ADORA2B | ADORA2A 1/4885ADORA3 2/4885ADORA2B 3/4885 |
| US-20100267953-A1 | PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS | ADORA2A, ADORA3, ADORA2B | ADORA2A 1/4885ADORA3 2/4885ADORA2B 3/4885 |
| US-20120165350-A1 | PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS | ADORA2A, ADORA3, ADORA2B | ADORA2A 1/4885ADORA3 2/4885ADORA2B 3/4885 |
| US-20110257387-A1 | PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS | ADORA2A, ADORA3, ADORA2B | ADORA2A 1/4885ADORA3 2/4885ADORA2B 3/4885 |
| US-20140213539-A1 | PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS | ADORA2A, ADORA3, ADORA2B | ADORA2A 1/4885ADORA3 2/4885ADORA2B 3/4885 |
| US-20100179313-A1 | PROCESS FOR PREPARING AN A2A-ADENOSINE RECEPTOR AGONIST AND ITS POLYMORPHS | ADORA2A, ADORA3, ADORA2B | ADORA2A 1/4885ADORA3 2/4885ADORA2B 3/4885 |
| US-20070225247-A1 | (1-{9-[(4S,2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl}pyrazol-4-yl)-N-methylcarboxamide; stable under relative humidity stress | ADORA2A, ADORA3, ADORA2B | ADORA2A 1/4885ADORA3 2/4885ADORA2B 3/4885 |
“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.