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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 13/20 | 0.98 |
| ▸ | ADORA1 known ✓ | P30542 | 13/20 | 0.98 |
| ▸ | ADORA2B known ✓ | P29275 | 7/20 | 0.98 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 3/20 | 0.61 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.41 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.41 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1553927 | 0.99 | ADORA2A (1.00) | ADORA2AADORA1ADORA2BADORA3KDM4E | |
| Hydrochloric Acid SCHEMBL3111468 | 0.98 | ADORA2A (0.98) | ADORA2AADORA1ADORA2BADORA3KDM4E | |
| Sulfuric Acid SCHEMBL3118523 | 0.94 | ADORA2A (0.90) | ADORA2AADORA1ADORA2BADORA3KDM4E | |
| Phosphoric Acid SCHEMBL3111633 | 0.94 | ADORA2A (0.90) | ADORA2AADORA1ADORA2BADORA3KDM4E | |
| SCHEMBL3115491 | 0.93 | ADORA2A (0.88) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL3118879 | 0.91 | ADORA2A (0.84) | ADORA2AADORA1ADORA2BADORA3ALDH1A1 | |
| SCHEMBL3114718 | 0.88 | ADORA2A (0.80) | ADORA2AADORA1ADORA2BADORA3ALDH1A1 | |
| SCHEMBL3111625 | 0.87 | ADORA2A (0.77) | ADORA2AADORA1ADORA2BADORA3KDM4E | |
| SCHEMBL21176829 | 0.85 | ADORA2A (0.76) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL1553621 | 0.85 | ADORA2A (0.75) | ADORA2AADORA1ADORA2BADORA3KDM4E |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090111986-A1 | NOVEL CRYSTALS OF PYRIMIDINE COMPOUND AND PROCESS FOR PRODUCING THE SAME | HARADA HITOSHI | 2009-04-30 | — | — | US | claimed |
| EP-1862463-A1 | PYRIMIDINE COMPOUND CRYSTAL OR AMORPHOUS FORM AND PROCESS FOR PRODUCING THE SAME | Eisai R&D Management Co., Ltd. (JP) | 2007-12-05 | — | — | EP | claimed |
| US-20070078151-A1 | Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds | EISAI CO., LTD. (JP) | 2007-04-05 | — | — | US | claimed |
| US-7767812-B2 | Crystals of pyrimidine compound and process for producing the same | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-08-03 | — | — | US | disclosed |
| US-7767812-B2 | Crystals of pyrimidine compound and process for producing the same | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-08-03 | — | — | US | disclosed |
| EP-2210889-A1 | Process for producing pyrimidine compound | Eisai R&D Management Co., Ltd. (JP) | 2010-07-28 | — | — | EP | disclosed |
| US-7538117-B2 | Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-05-26 | — | — | US | disclosed |
| US-7538117-B2 | Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-05-26 | — | — | US | disclosed |
| US-20090111986-A1 | NOVEL CRYSTALS OF PYRIMIDINE COMPOUND AND PROCESS FOR PRODUCING THE SAME | HARADA HITOSHI | 2009-04-30 | — | — | US | disclosed |
| US-20090111986-A1 | NOVEL CRYSTALS OF PYRIMIDINE COMPOUND AND PROCESS FOR PRODUCING THE SAME | HARADA HITOSHI | 2009-04-30 | — | — | US | disclosed |
| EP-1862463-A1 | PYRIMIDINE COMPOUND CRYSTAL OR AMORPHOUS FORM AND PROCESS FOR PRODUCING THE SAME | Eisai R&D Management Co., Ltd. (JP) | 2007-12-05 | — | — | EP | disclosed |
| EP-1862463-A1 | PYRIMIDINE COMPOUND CRYSTAL OR AMORPHOUS FORM AND PROCESS FOR PRODUCING THE SAME | Eisai R&D Management Co., Ltd. (JP) | 2007-12-05 | — | — | EP | disclosed |
| US-20070078151-A1 | Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds | EISAI CO., LTD. (JP) | 2007-04-05 | — | — | US | disclosed |
| US-20070078151-A1 | Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds | EISAI CO., LTD. (JP) | 2007-04-05 | — | — | 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 (2 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-20070078151-A1 | Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds | UMPS, TYMP, UPP1 | ADORA2A 199/4885ADORA1 131/4885ADORA2B 554/4885 |
| US-20090111986-A1 | NOVEL CRYSTALS OF PYRIMIDINE COMPOUND AND PROCESS FOR PRODUCING THE SAME | UMPS, P2RX5, APC | ADORA2A 332/4885ADORA1 203/4885ADORA2B 1033/4885 |
“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.